SCHEMBL30798563

SCHEMBL30798563

COc1cc2nc[nH]c2cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.46
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHEK1 O14757 1/20 0.40
QPCT Q16769 3/20 0.40
USP2 O75604 1/20 0.40
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
AR P10275 3/20 0.39
SRC P12931 2/20 0.38
PTK6 Q13882 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL30798822 0.94 MMP12 (0.46) MMP12KDM4EALDH1A1MAPTAPEX1
SCHEMBL953077 0.81 MMP12 (0.56) MMP12KDM4EALDH1A1MAPTAPEX1
SCHEMBL252110 0.81 MAPT (0.50) MMP12KDM4EALDH1A1MAPTAPEX1
SCHEMBL30798623 0.78 POLB (0.40) MMP12KDM4EALDH1A1MAPTAPEX1
SCHEMBL1797944 0.78 MAPT (0.44) MMP12KDM4EALDH1A1MAPTAPEX1
SCHEMBL30798572 0.78 AR (0.39) MMP12KDM4EALDH1A1MAPTAPEX1
SCHEMBL1162203 0.76 MMP12 (0.51) MMP12KDM4EALDH1A1MAPTAPEX1
SCHEMBL17137439 0.76 SRC (0.47) ALDH1A1CHEK1SRC
SCHEMBL31423376 0.75 MAPT (0.63) MMP12KDM4EALDH1A1MAPTAPEX1
SCHEMBL2268967 0.75 MMP12 (0.50) MMP12KDM4EALDH1A1MAPTAPEX1

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-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN claimed
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN disclosed