SCHEMBL28631971

SCHEMBL28631971

Cc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C)CC4)nc3)cnc(N)c2cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.51
RET P07949 15/20 0.43
TNKS O95271 1/20 0.42
TDO2 P48775 1/20 0.42
ATR Q13535 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
SCHEMBL29929741 1.00 MAP4K1 (0.51) MAP4K1RETTNKSTDO2ATR
SCHEMBL29930411 0.78 MAP4K1 (0.49) MAP4K1RETTNKSTDO2
SCHEMBL28927880 0.78 MAP4K1 (0.49) MAP4K1RETTNKSTDO2
SCHEMBL28927864 0.77 PIM1 (0.43) MAP4K1RET
SCHEMBL29929921 0.77 TDO2 (0.44) MAP4K1TNKSTDO2ATR
SCHEMBL28642686 0.77 TDO2 (0.44) MAP4K1TNKSTDO2ATR
SCHEMBL28645594 0.75 TNKS (0.42) MAP4K1TNKSTDO2ATR
SCHEMBL28633555 0.75 MAP4K1 (0.42) MAP4K1
SCHEMBL28927866 0.74 MAP4K1 (0.46) MAP4K1RET
SCHEMBL19949883 0.72 MAP4K1 (0.46) MAP4K1RETTNKSTDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244050-B Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2024-06-21 CN disclosed
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
CN-113336747-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2021-09-03 CN disclosed