SCHEMBL112539

SCHEMBL112539

Cc1cc(C(N)=O)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.50
CDK8 P49336 2/20 0.50
PIK3CB P42338 1/20 0.49
PARP1 P09874 4/20 0.48
KDM4B O94953 1/20 0.47
KDM5C P41229 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
UHRF1 Q96T88 1/20 0.46
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30100694 1.00 CCNC (0.50) CCNCCDK8PIK3CBPARP1KDM4B
Hydrochloric Acid SCHEMBL5083661 0.98 CCNC (0.49) CCNCCDK8PIK3CBPARP1KDM4B
Formic Acid SCHEMBL27859414 0.93 CCNC (0.45) CCNCCDK8PIK3CBPARP1KDM4B
Butyramide SCHEMBL27726778 0.87 KDM4E (0.43) CCNCCDK8PIK3CBPARP1KDM4B
SCHEMBL11826813 0.83 MYC (0.40) CCNCCDK8PIK3CBPARP1KDM4B
SCHEMBL3356107 0.83 UHRF1 (0.50) CCNCCDK8PIK3CBKDM5CKDM5B
SCHEMBL29527921 0.81 KDM4C (0.61) KDM4BKDM5CKDM5BUHRF1GABRP
SCHEMBL353289 0.81 KDM4C (0.61) KDM4BKDM5CKDM5BUHRF1GABRP
SCHEMBL363432 0.81 UHRF1 (0.48) CCNCCDK8PIK3CBKDM5CKDM5B
SCHEMBL29580893 0.81 UHRF1 (0.48) CCNCCDK8PIK3CBKDM5CKDM5B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 289 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117479943-A EGFR inhibitors and PERK activators in combination therapies and use thereof for treating cancer 基因泰克公司 2024-01-30 CN claimed
WO-2024015637-A1 GLUTATHIONE PEROXIDASE 4 (GPX4) INHIBITORS FOR THE TREATMENT OF CANCER Ferro Therapeutics, Inc. (US) 2024-01-18 WO claimed
CN-115397421-A Pharmaceutical combination comprising TNO155 and azatinib 诺华股份有限公司 2022-11-25 CN claimed
CN-109761944-A A kind of chrysin amide derivatives and preparation method thereof and medical usage 武汉翼博济生生物科技有限公司 2019-05-17 CN claimed
CN-108779104-A Noval chemical compound for inhibiting Nampt and the composition comprising it 延世大学校产学协力团 2018-11-09 CN claimed
EP-3169325-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2017-05-24 EP claimed
CN-104321312-B Chlorination N methyl 4 carbamovl pyridine * and preparation method thereof FARMAK INTERNATIONAL HOLDING GMBH (AT) 2016-11-30 CN claimed
CN-104619701-B For treating 2-oxo-2 of CNS disease, 3-Dihydro-indole compounds 霍夫曼-拉罗奇有限公司 2016-10-19 CN claimed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 WO claimed
CN-104619701-A 2-oxo-2,3-dihydro-indoles for the treatment of cns disorders HOFFMANN LA ROCHE 2015-05-13 CN claimed
EP-2356094-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP claimed
EP-2307379-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP claimed
CN-101343366-A Nano-laminal compound with regular array of pyridine and its derivant, and preparation thereof UNIV SHANGHAI (CN) 2009-01-14 CN claimed
WO-2008044099-A1 CHARGE TRANSFER COMPLEXES IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASES GHISALBERTI CARLO (BR) 2008-04-17 WO claimed
EP-1534687-B1 2-PHENYLAMINO-4-TRIFLUOROMETHYL-5-(BENZYL- OR PYRIDIN-4-YLMETHYL)CARBAMOYLPYRIMIDINE DERIVATIVES AS SELECTIVE CB2 CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-09-27 EP claimed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
US-4695352-A Electrochemical reduction of pyridine carboxamide bases REILLY TAR & CHEMICAL CORPORATION (US) 1987-09-22 US disclosed
EP-0189678-A1 Electrochemical reductions of pyridine carboxamide bases REILLY INDUSTRIES, INC. (US) 1986-08-06 EP disclosed