SCHEMBL28927880

SCHEMBL28927880

Cc1cccc(F)c1-c1cc2c(cc1C#N)CN(N)C=C2c1ccc(N2CCN(C)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.49
RET P07949 12/20 0.39
TNKS O95271 1/20 0.39
TDO2 P48775 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL29930411 1.00 MAP4K1 (0.49) MAP4K1RETTNKSTDO2GPR119
SCHEMBL28631971 0.78 MAP4K1 (0.51) MAP4K1RETTNKSTDO2
SCHEMBL29929741 0.78 MAP4K1 (0.51) MAP4K1RETTNKSTDO2
SCHEMBL19949883 0.72 MAP4K1 (0.46) MAP4K1RETTNKSTDO2KDM4E
SCHEMBL19951649 0.68 TNKS (0.53) MAP4K1TNKSTDO2
SCHEMBL28645594 0.67 TNKS (0.42) MAP4K1TNKSTDO2
SCHEMBL28642686 0.66 TDO2 (0.44) MAP4K1TNKSTDO2
SCHEMBL29929921 0.66 TDO2 (0.44) MAP4K1TNKSTDO2
SCHEMBL28642628 0.65 MAP4K1 (0.44) MAP4K1TNKSTDO2
SCHEMBL3241755 0.65 CNR2 (0.56) RETTNKSTDO2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244050-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-10-25 CN disclosed