SCHEMBL29557906

SCHEMBL29557906

[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc3c(cc2OC)CCN(C)C3)nc1Nc1ccccc1[C@@H](C)OC

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 18/20 0.67
▸ ALK Q9UM73 2/20 0.49

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
SCHEMBL29558778 1.00 MAP4K1 (0.67) MAP4K1ALK
SCHEMBL29557583 1.00 MAP4K1 (0.67) MAP4K1ALK
SCHEMBL29557953 0.90 MAP4K1 (0.77) MAP4K1
SCHEMBL28717504 0.90 MAP4K1 (0.77) MAP4K1
SCHEMBL29557987 0.90 MAP4K1 (0.77) MAP4K1
SCHEMBL29558296 0.90 MAP4K1 (0.77) MAP4K1
SCHEMBL28717586 0.90 MAP4K1 (0.77) MAP4K1
SCHEMBL28717571 0.90 MAP4K1 (0.77) MAP4K1
SCHEMBL29557869 0.90 MAP4K1 (0.77) MAP4K1
SCHEMBL28717503 0.90 MAP4K1 (0.77) 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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