SCHEMBL30730848

SCHEMBL30730848

Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc(N2CCCC2=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
CD38 P28907 1/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 1/20 0.36
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36
ACVR1 Q04771 2/20 0.35
PIP4K2A P48426 2/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
HTR6 P50406 1/20 0.34
TGFBR1 P36897 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
HPGDS O60760 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL22553813 1.00 CNR2 (0.38) CNR2CD38ALOX5APFEN1MAP3K7
SCHEMBL22553917 0.77 ALOX5AP (0.41) CNR2CD38ALOX5APFEN1ACVR1
SCHEMBL30730773 0.77 ALOX5AP (0.41) CNR2CD38ALOX5APFEN1ACVR1
SCHEMBL30731090 0.74 NPC1 (0.44) ALOX5APFEN1HTR6SMN1; SMN2ALDH1A1
SCHEMBL22554275 0.74 NPC1 (0.44) ALOX5APFEN1HTR6SMN1; SMN2ALDH1A1
SCHEMBL30731017 0.74 NPC1 (0.44) ALOX5APFEN1HTR6SMN1; SMN2ALDH1A1
SCHEMBL22554214 0.74 CDK8 (0.38) CNR2ALOX5APFEN1ACVR1HTR6
SCHEMBL30730798 0.74 CDK8 (0.38) CNR2ALOX5APFEN1ACVR1HTR6
SCHEMBL22553739 0.71 JAK2 (0.43) CNR2
SCHEMBL30730864 0.71 JAK2 (0.43) CNR2

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