SCHEMBL30730860

SCHEMBL30730860

COc1ncc(-c2cncc(-c3ccc(N4CCCC4=O)cc3)c2)c2cnn(C)c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 3/20 0.40
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
MAPT P10636 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
CD38 P28907 1/20 0.37
TGFBR1 P36897 2/20 0.36
SYK P43405 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.35
ACVR1B P36896 1/20 0.35
ACVR1 Q04771 1/20 0.35
TP53 P04637 1/20 0.35
CHEK1 O14757 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
SCHEMBL22553963 1.00 PIP4K2A (0.46) PIP4K2ASMN1; SMN2NPC1HTTCYP11B2
SCHEMBL22578369 0.84 TGFBR1 (0.47) MAPTTGFBR1ACVR1BACVR1CHEK1
SCHEMBL30730784 0.83 CYP11B2 (0.41) PIP4K2ASMN1; SMN2NPC1HTTCYP11B2
SCHEMBL22553817 0.83 CYP11B2 (0.41) PIP4K2ASMN1; SMN2NPC1HTTCYP11B2
SCHEMBL22553979 0.83 BRD4 (0.48) PIP4K2ANPC1CYP11B2CYP11B1CCNC
SCHEMBL30730803 0.82 SMN1; SMN2 (0.41) PIP4K2ASMN1; SMN2NPC1HTTCYP11B2
SCHEMBL22553792 0.82 SMN1; SMN2 (0.41) PIP4K2ASMN1; SMN2NPC1HTTCYP11B2
SCHEMBL22553970 0.82 CYP11B1 (0.41) PIP4K2ASMN1; SMN2NPC1HTTCYP11B2
SCHEMBL22554228 0.82 PIP4K2A (0.44) PIP4K2ANPC1CYP11B2CYP11B1CCNC
SCHEMBL22553945 0.80 PIP4K2A (0.55) PIP4K2ANPC1CYP11B2CYP11B1CCNC

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