SCHEMBL30730773

SCHEMBL30730773

Nc1ncc(-c2csc3ncccc23)cc1-c1ccc(N2CCCC2=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.41
PIP4K2A P48426 2/20 0.39
PIM1 P11309 3/20 0.36
HPGDS O60760 1/20 0.36
TGFBR1 P36897 2/20 0.35
ACVR1 Q04771 2/20 0.35
FEN1 P39748 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
GAA P10253 1/20 0.35
CD38 P28907 1/20 0.35
AKR1C3 P42330 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.34
BRD4 O60885 1/20 0.33
BRDT Q58F21 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CYP11B1 P15538 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
SCHEMBL22553917 1.00 ALOX5AP (0.41) ALOX5APPIP4K2APIM1HPGDSTGFBR1
SCHEMBL22553859 0.80 PIP4K2A (0.45) ALOX5APPIP4K2APIM1HPGDSPIP4K2C
SCHEMBL22553813 0.77 CNR2 (0.38) ALOX5APPIP4K2AHPGDSTGFBR1ACVR1
SCHEMBL30730848 0.77 CNR2 (0.38) ALOX5APPIP4K2AHPGDSTGFBR1ACVR1
SCHEMBL22554275 0.74 NPC1 (0.44) ALOX5APHPGDSFEN1GAAAKR1C3
SCHEMBL30731090 0.74 NPC1 (0.44) ALOX5APHPGDSFEN1GAAAKR1C3
SCHEMBL30731017 0.74 NPC1 (0.44) ALOX5APHPGDSFEN1GAAAKR1C3
SCHEMBL22554214 0.73 CDK8 (0.38) ALOX5APPIM1HPGDSACVR1FEN1
SCHEMBL30730798 0.73 CDK8 (0.38) ALOX5APPIM1HPGDSACVR1FEN1
SCHEMBL22553739 0.72 JAK2 (0.43) PIM1CNR2PIM3PIM2

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