SCHEMBL29557977

SCHEMBL29557977

COc1cc2c(cc1Nc1nnc(Cl)c(Nc3ccccc3P(C)C)n1)CN(C)CC2

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 18/20 0.58
▸ ALK Q9UM73 2/20 0.54

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
SCHEMBL28717650 0.88 MAP4K1 (0.60) MAP4K1ALK
SCHEMBL30921791 0.88 MAP4K1 (0.69) MAP4K1ALK
SCHEMBL29557964 0.88 MAP4K1 (0.69) MAP4K1ALK
SCHEMBL29557649 0.88 MAP4K1 (0.60) MAP4K1ALK
SCHEMBL29557916 0.87 MAP4K1 (0.70) MAP4K1ALK
SCHEMBL24716379 0.87 MAP4K1 (0.74) MAP4K1ALK
Methyl Alcohol SCHEMBL28720679 0.86 MAP4K1 (0.67) MAP4K1ALK
SCHEMBL29558038 0.86 MAP4K1 (0.70) MAP4K1ALK
SCHEMBL29557531 0.86 MAP4K1 (0.58) MAP4K1ALK
SCHEMBL28717546 0.86 MAP4K1 (0.58) MAP4K1ALK

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-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 — — CN disclosed
CN-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 — — CN disclosed
Send feedback