SCHEMBL29929924

SCHEMBL29929924

Cc1cccc(F)c1-c1cc2c(-c3cnn(C4CCN(C(C)(C)C)CC4)c3)cnc(N)c2cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 16/20 0.47
TAB1 Q15750 16/20 0.47
MAP4K3 Q8IVH8 3/20 0.45
MAP4K1 Q92918 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
SCHEMBL28634046 0.88 MAP4K3 (0.59) MAP3K7TAB1MAP4K3
SCHEMBL28636439 0.87 MAP3K7 (0.51) MAP3K7TAB1MAP4K3
SCHEMBL28927859 0.84 MAP3K7 (0.45) MAP3K7TAB1MAP4K3
SCHEMBL28962176 0.78 MAP4K1 (0.38) MAP4K1
SCHEMBL28927885 0.76 MAP4K3 (0.43) MAP3K7TAB1MAP4K3MAP4K1
SCHEMBL28927875 0.76 GPR119 (0.39) MAP3K7TAB1
SCHEMBL28962175 0.73 KDM1A (0.45) MAP4K3MAP4K1
SCHEMBL29929741 0.73 MAP4K1 (0.51) MAP4K1
SCHEMBL28631971 0.73 MAP4K1 (0.51) MAP4K1
SCHEMBL28633555 0.71 MAP4K1 (0.42) MAP4K1

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