SCHEMBL29557839

SCHEMBL29557839

COc1cc2c(cc1Nc1nnc(C(N)=O)c(Nc3ccccc3P(C)(C)=O)n1)CN(C)CC2(C)C

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 15/20 0.70
▸ ALK Q9UM73 5/20 0.47
▸ EGFR P00533 1/20 0.46
▸ INSR P06213 1/20 0.45
▸ IGF1R P08069 1/20 0.45

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
SCHEMBL28716995 1.00 MAP4K1 (0.70) MAP4K1ALKEGFRINSRIGF1R
SCHEMBL28717883 0.88 MAP4K1 (0.53) MAP4K1
SCHEMBL29557636 0.88 MAP4K1 (0.53) MAP4K1
SCHEMBL28723666 0.87 MAP4K1 (0.57) MAP4K1
SCHEMBL29557738 0.87 MAP4K1 (0.57) MAP4K1
SCHEMBL29558016 0.86 MAP4K1 (0.51) MAP4K1ALK
SCHEMBL28717557 0.86 MAP4K1 (0.51) MAP4K1ALK
SCHEMBL28717562 0.85 MAP4K1 (0.72) MAP4K1
SCHEMBL29557866 0.85 MAP4K1 (0.72) MAP4K1
SCHEMBL28717528 0.85 MAP4K1 (0.72) 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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