SCHEMBL28497771

SCHEMBL28497771

CCCCCCCCCCc1nn(C)c2nc[nH]c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.45
PDE4A P27815 9/20 0.42
ADORA2A P29274 9/20 0.42
PDE4B Q07343 9/20 0.42
PDE4C Q08493 9/20 0.42
PDE4D Q08499 9/20 0.42
ALDH1A1 P00352 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
HPGD P15428 1/20 0.38
ADORA1 P30542 1/20 0.38
BLM P54132 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK8 P45983 1/20 0.37
BTK Q06187 1/20 0.36

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
SCHEMBL17292789 0.71 DAPK3 (0.54) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL2558595 0.68 ALDH1A1 (0.45) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL12844979 0.68 ALDH1A1 (0.45) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL2078062 0.66 ALDH1A1 (0.43) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL1149887 0.66 PDE5A (0.52) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3100667 0.65 PDPK1 (0.56) ALDH1A1HPGDBLMHSD17B10
SCHEMBL409487 0.65 PIK3CD (0.51) ALDH1A1HPGDHSD17B10
SCHEMBL28494361 0.65 ADORA2B (0.36) ADORA2BADORA2AALDH1A1HPGDHSD17B10
SCHEMBL24023138 0.65 HRH3 (0.58) ADORA2B
SCHEMBL21643912 0.65 HRH3 (0.40) ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365696-A Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2021-09-07 CN claimed
CN-112135818-A 4-hydroxypiperidine derivatives and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2020-12-25 CN claimed
CN-113365696-A Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2021-09-07 CN disclosed
CN-112135818-A 4-hydroxypiperidine derivatives and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2020-12-25 CN disclosed