SCHEMBL29801012

SCHEMBL29801012

COc1cc2c(cc1Nc1ncc(Cl)c(N3CCc4cc(P(C)C)ccc43)n1)CN(C)CC2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 16/20 0.54
ALK Q9UM73 2/20 0.52
PTK2 Q05397 1/20 0.49
TNK2 Q07912 1/20 0.48

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
SCHEMBL29651332 0.90 MAP4K1 (0.57) MAP4K1ALKPTK2
SCHEMBL22864628 0.90 MAP4K1 (0.57) MAP4K1ALKPTK2
SCHEMBL22864689 0.89 MAP4K1 (0.55) MAP4K1ALKPTK2TNK2
SCHEMBL29651271 0.89 MAP4K1 (0.55) MAP4K1ALKPTK2
SCHEMBL22864477 0.89 MAP4K1 (0.55) MAP4K1ALKPTK2
SCHEMBL22864471 0.88 MAP4K1 (0.62) MAP4K1ALKTNK2
SCHEMBL29651250 0.88 MAP4K1 (0.62) MAP4K1ALKTNK2
SCHEMBL22864684 0.86 ALK (0.55) MAP4K1ALKPTK2
SCHEMBL29651299 0.86 ALK (0.55) MAP4K1ALKPTK2
SCHEMBL22864585 0.86 MAP4K1 (0.62) MAP4K1ALKPTK2

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-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed