SCHEMBL29172271

SCHEMBL29172271

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(OS(=O)(=O)F)cc3P(C)(C)=O)n1)CN(CC(F)F)CC2

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 9/20 0.59
▸ ALK Q9UM73 11/20 0.58
▸ INSR P06213 2/20 0.53

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
SCHEMBL32685271 1.00 MAP4K1 (0.59) MAP4K1ALKINSR
Hydrochloric Acid SCHEMBL30446771 0.99 MAP4K1 (0.59) MAP4K1ALKINSR
Hydrochloric Acid SCHEMBL25339312 0.99 MAP4K1 (0.59) MAP4K1ALKINSR
SCHEMBL29172265 0.93 ALK (0.63) MAP4K1ALKINSR
SCHEMBL25947735 0.91 MAP4K1 (0.62) MAP4K1ALKINSR
SCHEMBL25947485 0.91 ALK (0.61) ALKINSR
Hydrochloric Acid SCHEMBL25436527 0.90 MAP4K1 (0.59) MAP4K1ALKINSR
SCHEMBL31315699 0.89 MAP4K1 (0.75) MAP4K1ALKINSR
SCHEMBL25947722 0.89 MAP4K1 (0.75) MAP4K1ALKINSR
SCHEMBL29172268 0.89 MAP4K1 (0.60) MAP4K1ALKINSR

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 claimed
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