SCHEMBL29558296

SCHEMBL29558296

COc1cc2c(cc1Nc1nnc(C(N)=O)c(Nc3ccccc3[C@@H](C)OC)n1)CN(C)CC2

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 20/20 0.77

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
SCHEMBL29557953 1.00 MAP4K1 (0.77) MAP4K1
SCHEMBL28717586 1.00 MAP4K1 (0.77) MAP4K1
SCHEMBL28717504 1.00 MAP4K1 (0.77) MAP4K1
SCHEMBL28717503 1.00 MAP4K1 (0.77) MAP4K1
SCHEMBL29557987 1.00 MAP4K1 (0.77) MAP4K1
SCHEMBL28717571 1.00 MAP4K1 (0.77) MAP4K1
SCHEMBL29557869 1.00 MAP4K1 (0.77) MAP4K1
SCHEMBL28716997 0.92 MAP4K1 (0.65) MAP4K1
SCHEMBL29557682 0.92 MAP4K1 (0.65) MAP4K1
SCHEMBL28717868 0.91 MAP4K1 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 — — CN disclosed
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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