SCHEMBL30875675

SCHEMBL30875675

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(O)cc3P(C)C)n1)CN(C)CC2

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 16/20 0.65
▸ ALK Q9UM73 4/20 0.61
▸ MET P08581 2/20 0.56

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
Hydrochloric Acid SCHEMBL29172302 0.99 MAP4K1 (0.64) MAP4K1ALKMET
Phosphine SCHEMBL24870174 0.90 MAP4K1 (0.64) MAP4K1ALKMET
SCHEMBL30875686 0.89 MAP4K1 (0.65) MAP4K1ALKMET
SCHEMBL25947465 0.89 MAP4K1 (0.67) MAP4K1ALKMET
SCHEMBL24716379 0.89 MAP4K1 (0.74) MAP4K1ALKMET
SCHEMBL30875687 0.87 MAP4K1 (0.64) MAP4K1ALKMET
SCHEMBL30875695 0.87 MAP4K1 (0.62) MAP4K1ALKMET
SCHEMBL30183987 0.86 MAP4K1 (0.81) MAP4K1ALK
SCHEMBL25338147 0.86 MAP4K1 (0.81) MAP4K1ALK
Hydrochloric Acid SCHEMBL25337589 0.85 MAP4K1 (0.80) 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-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 — — CN claimed
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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