SCHEMBL30875695

SCHEMBL30875695

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc([N+](=O)[O-])cc3P(C)C)n1)CN(C)CC2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 15/20 0.62
▸ ALK Q9UM73 4/20 0.60
▸ MET P08581 2/20 0.52
▸ EGFR P00533 1/20 0.51

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 SCHEMBL25950831 0.90 MAP4K1 (0.61) MAP4K1ALKMETEGFR
SCHEMBL25947622 0.90 MAP4K1 (0.65) MAP4K1ALKMETEGFR
SCHEMBL30184069 0.87 MAP4K1 (0.77) MAP4K1ALK
SCHEMBL25338027 0.87 MAP4K1 (0.77) MAP4K1ALK
SCHEMBL30875675 0.87 MAP4K1 (0.65) MAP4K1ALKMET
Hydrochloric Acid SCHEMBL29172302 0.86 MAP4K1 (0.64) MAP4K1ALKMET
SCHEMBL24716379 0.86 MAP4K1 (0.74) MAP4K1ALKMET
SCHEMBL30875687 0.84 MAP4K1 (0.64) MAP4K1ALKMET
SCHEMBL30875686 0.83 MAP4K1 (0.65) MAP4K1ALKMET
SCHEMBL30184165 0.80 MAP4K1 (0.56) 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 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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