SCHEMBL30730832

SCHEMBL30730832

Cc1ncc(-c2ccc(N3CCCC3=O)cc2)cc1-c1cc[nH]c(=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
F10 P00742 3/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
ACVR1 Q04771 3/20 0.40
TGFBR1 P36897 2/20 0.40
RIPK2 O43353 2/20 0.40
BMPR1A P36894 1/20 0.40
ACVRL1 P37023 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
TNIK Q9UKE5 1/20 0.39

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
SCHEMBL30730861 0.82 PIP4K2A (0.43) F10PRSS1PRSS2PRSS3ACVR1
SCHEMBL22554094 0.82 PIP4K2A (0.43) F10PRSS1PRSS2PRSS3ACVR1
SCHEMBL22553839 0.78 NPC1 (0.48) F10PRSS1PRSS2PRSS3PRKAB2
SCHEMBL28557259 0.76 NPC1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28560346 0.75 MAP4K4 (0.45) MAP4K4ACVR1TGFBR1PRKAB2PRKAG1
SCHEMBL22575129 0.73 CNR2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22553850 0.73 CHEK2 (0.54) MAP4K4ACVR1TGFBR1
SCHEMBL30730821 0.73 CHEK2 (0.54) MAP4K4ACVR1TGFBR1
SCHEMBL28558353 0.71 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28559252 0.70 NPC1 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN claimed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed