SCHEMBL30875684

SCHEMBL30875684

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(O)cc3P(C)C)n1)CNCC2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.61
▸ INSR P06213 7/20 0.56
▸ BTK Q06187 1/20 0.49
▸ MAP4K1 Q92918 4/20 0.48
▸ MET P08581 2/20 0.47

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
Phosphine SCHEMBL25950554 0.89 ALK (0.60) ALKINSRBTKMAP4K1
SCHEMBL30183975 0.85 MAP4K1 (0.62) ALKINSRMAP4K1
SCHEMBL25337779 0.85 MAP4K1 (0.62) ALKINSRMAP4K1
SCHEMBL30875675 0.85 MAP4K1 (0.65) ALKMAP4K1MET
Hydrochloric Acid SCHEMBL29172302 0.84 MAP4K1 (0.64) ALKMAP4K1MET
SCHEMBL20231589 0.80 ALK (0.71) ALKINSRBTKMAP4K1MET
SCHEMBL25947559 0.78 ALK (0.57) ALKINSRMAP4K1MET
SCHEMBL20214436 0.78 MAP4K1 (0.77) ALKINSRMAP4K1
SCHEMBL20214556 0.78 MAP4K1 (0.77) ALKINSRMAP4K1
SCHEMBL29805906 0.78 MAP4K1 (0.77) ALKINSRMAP4K1

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-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 — — CN disclosed
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