SCHEMBL29557738

SCHEMBL29557738

COc1cc2c(cc1Nc1nnc(C(N)=O)c(Nc3ccccc3CO)n1)CN(C)CC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 20/20 0.57

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
SCHEMBL28723666 1.00 MAP4K1 (0.57) MAP4K1
SCHEMBL29557636 0.89 MAP4K1 (0.53) MAP4K1
SCHEMBL28717883 0.89 MAP4K1 (0.53) MAP4K1
SCHEMBL29557839 0.87 MAP4K1 (0.70) MAP4K1
SCHEMBL28716995 0.87 MAP4K1 (0.70) MAP4K1
SCHEMBL29557919 0.86 MAP4K1 (0.49) MAP4K1
SCHEMBL28937709 0.86 MAP4K1 (0.49) MAP4K1
SCHEMBL29557886 0.85 MAP4K1 (0.76) MAP4K1
SCHEMBL28717570 0.85 MAP4K1 (0.76) MAP4K1
SCHEMBL28717689 0.85 MAP4K1 (0.71) MAP4K1

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-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 — — CN disclosed
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