SCHEMBL24716379

SCHEMBL24716379

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3P(C)C)n1)CN(C)CC2

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 16/20 0.74
▸ ALK Q9UM73 4/20 0.71
▸ MET P08581 2/20 0.62

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
SCHEMBL30875675 0.89 MAP4K1 (0.65) MAP4K1ALKMET
Hydrochloric Acid SCHEMBL29172302 0.89 MAP4K1 (0.64) MAP4K1ALKMET
SCHEMBL30875687 0.87 MAP4K1 (0.64) MAP4K1ALKMET
SCHEMBL29557977 0.87 MAP4K1 (0.58) MAP4K1ALK
SCHEMBL30875686 0.87 MAP4K1 (0.65) MAP4K1ALKMET
SCHEMBL30875695 0.86 MAP4K1 (0.62) MAP4K1ALKMET
SCHEMBL20214415 0.85 MAP4K1 (1.00) MAP4K1ALK
SCHEMBL24040082 0.85 MAP4K1 (1.00) MAP4K1ALK
SCHEMBL20214583 0.84 MAP4K1 (1.00) MAP4K1ALKMET
SCHEMBL24039924 0.83 MAP4K1 (0.84) 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
WO-2022214008-A1 HIGHLY ACTIVE HPK1 KINASE INHIBITOR 杭州阿诺生物医药科技有限公司 2022-10-13 — — WO disclosed
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