SCHEMBL12470798

SCHEMBL12470798

Cc1nc(C)c(CCBr)nc1C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL12472394 0.89
SCHEMBL10144470 0.83 PDE10A (0.43) PDE10A
SCHEMBL10835168 0.83 PDE10A (0.43) PDE10A
SCHEMBL12472395 0.80
SCHEMBL582880 0.78 ERBB2 (0.31) PDE10A
SCHEMBL7154330 0.76 PDE10A (0.36) PDE10A
SCHEMBL10052570 0.71 ERBB2 (0.32)
SCHEMBL6129973 0.70 NOS3 (0.37) PDE10A
SCHEMBL11329592 0.69 MAPK1 (0.34) PDE10A
SCHEMBL3457245 0.69 MAPK1 (0.32) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101143851-A Ligustrazine aromatic acid ether derivatives, preparation method thereof, medicament composition and use LI JIAMING HE GUANGWEI (CN) 2008-03-19 CN claimed
CN-116675724-A Tripterine-ligustrazine hybrid, and preparation method and application thereof 安徽理工大学 2023-09-01 CN disclosed
CN-105315321-A Compound having antitumor effect, preparation method and application thereof LEI HAIMIN 2016-02-10 CN disclosed
CN-103664804-B Pirodomast analogue, preparation method and application thereof ANHUI UNIVERSITY OF CHINESE MEDICINE (CN) 2016-01-20 CN disclosed
CN-105153049-A Tanshinol amide derivative and preparation method and application thereof UNIV HEFEI TECHNOLOGY 2015-12-16 CN disclosed
CN-102653539-B Compound for resisting platelet aggregation and medicament combination thereof QIN YINLIN 2014-09-17 CN disclosed
CN-103664804-A Picotamide analogues as well as preparation method and application thereof ANHUI UNIVERSITY OF CHINESE MEDICINE 2014-03-26 CN disclosed
CN-102225896-B Ether derivatives of rhein and their therapeutic use LI JINCAI 2013-10-30 CN disclosed
CN-103360408-A Novel thienopyridine compounds and use thereof in medicine INST PHARM & TOXICOLOGY AMMS 2013-10-23 CN disclosed
CN-102225913-B Rheinic acid derivatives and treatment application thereof LI JINCAI 2013-09-04 CN disclosed
CN-102653539-A Compound for resisting platelet aggregation and medicament combination thereof YINLIN QIN 2012-09-05 CN disclosed
WO-2012103813-A1 DANSHENSU AND CHUANXIONGQIN DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF JINAN UNIVERSITY (CN) 2012-08-09 WO disclosed
CN-102225913-A Rheinic acid derivatives and treatment application thereof JINCAI LI 2011-10-26 CN disclosed
CN-102225896-A Ether derivatives of rhein and their therapeutic use JINCAI LI 2011-10-26 CN disclosed
CN-101012201-B Ligustrazine derivative, preparation method and medical use thereof UNIV CHINA PHARMA 2010-07-28 CN disclosed
CN-101143851-B Ligustrazine aromatic acid ether derivatives, preparation method thereof, medicament composition and use GUANGWEI HE 2010-07-21 CN disclosed
CN-101143851-A Ligustrazine aromatic acid ether derivatives, preparation method thereof, medicament composition and use LI JIAMING HE GUANGWEI (CN) 2008-03-19 CN disclosed
CN-101012201-A Ligustrazine derivative, preparation method and medical use thereof UNIV CHINA PHARMA (CN) 2007-08-08 CN disclosed
CN-1640870-A Ibuprofen ester, medically-acceptable salt, and its preparing process and medicinal composition HUATAI MEDICINE RES CO LTD SHE (CN) 2005-07-20 CN disclosed