SCHEMBL6237458

SCHEMBL6237458

Cc1c(C(N)=O)cccc1-c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 13/20 0.58
MKNK2 Q9HBH9 12/20 0.58
PKN1 Q16512 1/20 0.52
PKN2 Q16513 1/20 0.52
PARP1 P09874 1/20 0.49
DHODH Q02127 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
BTK Q06187 1/20 0.48
SIRT3 Q9NTG7 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46

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
SCHEMBL6163062 0.86 HTT (0.53) MKNK1MKNK2DHODHLMNACYP3A4
SCHEMBL30514275 0.83 BCAT2 (0.67) MKNK1MKNK2PKN1PKN2PARP1
SCHEMBL167082 0.83 BCAT2 (0.67) MKNK1MKNK2PKN1PKN2PARP1
SCHEMBL31227976 0.83 BCAT2 (0.67) MKNK1MKNK2PKN1PKN2PARP1
SCHEMBL17591715 0.83 MKNK1 (0.54) MKNK1MKNK2PKN1PKN2PARP1
SCHEMBL30410982 0.83 MKNK1 (0.54) MKNK1MKNK2PKN1PKN2PARP1
Hydrochloric Acid SCHEMBL30165666 0.82 BCAT2 (0.65) MKNK1MKNK2PKN1PKN2PARP1
Hydrochloric Acid SCHEMBL27890957 0.82 BCAT2 (0.65) MKNK1MKNK2PKN1PKN2PARP1
SCHEMBL15830641 0.82 KMT2A (0.53) MKNK1MKNK2
SCHEMBL27894364 0.82 MKNK1 (0.56) MKNK1MKNK2LMNACYP1A2CYP3A4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014020041-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO claimed
EP-1427408-A4 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-10-26 EP claimed
EP-1427408-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-16 EP claimed
WO-2003024899-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 WO claimed
WO-2023169453-A1 HETEROAROMATIC RING-CONTAINING ALKYNYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-09-14 WO disclosed
EP-2935271-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS Bristol-Myers Squibb Company (US) 2015-10-28 EP disclosed
CN-102958917-B Compositions and methods for modulating the wnt signaling pathway IRM LLC (BM) 2014-10-08 CN disclosed
WO-2014100533-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 δ/ε INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-26 WO disclosed
CN-103153994-A Bicyclic heteroaryl kinase inhibitors and methods of use UNIV ROCHESTER 2013-06-12 CN disclosed
EP-2576560-A1 SUBSTITUTED IMIDAZOPYRAZINES Bayer Intellectual Property GmbH (DE) 2013-04-10 EP disclosed
CN-102958917-A Compositions and methods for modulating the wnt signaling pathway IRM LLC 2013-03-06 CN disclosed
WO-2011151259-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 WO disclosed
EP-1427408-A4 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-10-26 EP disclosed
EP-1427408-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-16 EP disclosed
WO-2003024899-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 WO disclosed