SCHEMBL30730784

SCHEMBL30730784

COc1ncc(-c2cncc(-c3ccc(N4CCCC4=O)cc3)c2)c2cn(C)nc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.41
CYP11B1 P15538 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 1/20 0.40
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
PIP4K2A P48426 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
MAPT P10636 1/20 0.37
CD38 P28907 1/20 0.36
BRD4 O60885 1/20 0.35
BRDT Q58F21 1/20 0.35
F10 P00742 1/20 0.35
SYK P43405 1/20 0.35
TGFBR1 P36897 1/20 0.35
GAA P10253 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
SCHEMBL22553817 1.00 CYP11B2 (0.41) CYP11B2CYP11B1SMN1; SMN2NPC1HTT
SCHEMBL22578344 0.85 TGFBR1 (0.45) TGFBR1
SCHEMBL22553970 0.84 CYP11B1 (0.41) CYP11B2CYP11B1SMN1; SMN2NPC1HTT
SCHEMBL22553963 0.83 PIP4K2A (0.46) CYP11B2CYP11B1SMN1; SMN2NPC1HTT
SCHEMBL30730860 0.83 PIP4K2A (0.46) CYP11B2CYP11B1SMN1; SMN2NPC1HTT
SCHEMBL22553809 0.81 CCNC (0.44) CYP11B2CYP11B1NPC1CCNCCDK8
SCHEMBL30730803 0.81 SMN1; SMN2 (0.41) CYP11B2CYP11B1SMN1; SMN2NPC1HTT
SCHEMBL22553792 0.81 SMN1; SMN2 (0.41) CYP11B2CYP11B1SMN1; SMN2NPC1HTT
SCHEMBL22554234 0.79 CCNC (0.41) CYP11B2NPC1CCNCCDK8PIP4K2A
SCHEMBL22554063 0.73 BRD4 (0.45) CYP11B2CYP11B1SMN1; SMN2NPC1HTT

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