SCHEMBL30051137

SCHEMBL30051137

COc1ccc(Cn2ncc3cncc(C(=O)O)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 9/20 0.46
PTPN1 P18031 1/20 0.45
CHRM1 P11229 2/20 0.43
MCHR1 Q99705 1/20 0.43
UCHL1 P09936 1/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
FABP4 P15090 1/20 0.41
CHEK1 O14757 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
RIOX2 Q8IUF8 1/20 0.40
KDM8 Q8N371 1/20 0.40
CCR2 P41597 1/20 0.40

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
SCHEMBL30408409 0.89 NPBWR1 (0.46) NPBWR1MCHR1UCHL1KDM4E
SCHEMBL30050755 0.89 PDE8B (0.46) NPBWR1PTPN1MCHR1UCHL1
SCHEMBL30469042 0.81 NPBWR1 (0.54) NPBWR1MCHR1
SCHEMBL20176889 0.80 NPBWR1 (0.47) NPBWR1MCHR1KDM4E
SCHEMBL14809708 0.78 NPBWR1 (0.51) NPBWR1PTPN1CHRM1MCHR1UCHL1
SCHEMBL20746001 0.78 NPBWR1 (0.51) NPBWR1PTPN1CHRM1MCHR1UCHL1
SCHEMBL29049972 0.77 PTPN1 (0.60) NPBWR1PTPN1CHRM1MCHR1UCHL1
SCHEMBL21579413 0.77 NPBWR1 (0.44) NPBWR1MCHR1UCHL1KDM4E
SCHEMBL3356344 0.77 MEN1 (0.52) NPBWR1PTPN1CHRM1MCHR1UCHL1
SCHEMBL20177016 0.76 NPBWR1 (0.44) NPBWR1MCHR1UCHL1

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-116348453-A Heteroaromatic carboxamide compounds and uses thereof 烨辉医药科技(上海)有限公司 2023-06-27 CN disclosed
WO-2022228302-A1 HETEROAROMATIC CARBOXAMIDE COMPOUNDS AND ITS USE BIONOVA PHARMACEUTICALS (SHANGHAI) LIMITED (CN) 2022-11-03 WO disclosed