SCHEMBL28962176

SCHEMBL28962176

Cc1cccc(F)c1-c1cc2c(-c3cn(N4CCN(C(C)(C)C)CC4)nc3C)cnc(N)c2cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.38
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
KDM1A O60341 2/20 0.31
SSTR2 P30874 1/20 0.30

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
SCHEMBL29929924 0.78 MAP3K7 (0.47) MAP4K1
SCHEMBL28927885 0.77 MAP4K3 (0.43) MAP4K1KDM1A
SCHEMBL28927875 0.75 GPR119 (0.39) KDM1A
SCHEMBL28633555 0.72 MAP4K1 (0.42) MAP4K1GABRA1GABRG2GABRB3GABRA5
SCHEMBL29929741 0.70 MAP4K1 (0.51) MAP4K1
SCHEMBL28631971 0.70 MAP4K1 (0.51) MAP4K1
SCHEMBL28927864 0.70 PIM1 (0.43) MAP4K1
SCHEMBL28927866 0.70 MAP4K1 (0.46) MAP4K1
SCHEMBL28962175 0.70 KDM1A (0.45) MAP4K1KDM1A
SCHEMBL28925081 0.66 MAP4K1 (0.43) MAP4K1KDM1A

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