SCHEMBL28937709

SCHEMBL28937709

COc1cc2c(cc1Nc1nnc(C(N)=O)c(Nc3ccccc3CO)n1)CNCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 14/20 0.49
▸ ALK Q9UM73 3/20 0.39
▸ PTK2 Q05397 1/20 0.38
▸ GRK5 P34947 1/20 0.36
▸ IGF1R P08069 1/20 0.36

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
SCHEMBL29557919 1.00 MAP4K1 (0.49) MAP4K1ALKPTK2GRK5IGF1R
SCHEMBL28719690 0.91 MAP4K1 (0.42) MAP4K1ALKPTK2IGF1R
SCHEMBL29557662 0.91 MAP4K1 (0.42) MAP4K1ALKPTK2IGF1R
SCHEMBL28937692 0.90 MAP4K1 (0.44) MAP4K1ALKPTK2
SCHEMBL29557921 0.90 MAP4K1 (0.51) MAP4K1ALKPTK2GRK5IGF1R
SCHEMBL28720834 0.90 MAP4K1 (0.51) MAP4K1ALKPTK2GRK5IGF1R
SCHEMBL28717640 0.89 MAP4K1 (0.46) MAP4K1ALKPTK2
SCHEMBL29557880 0.89 MAP4K1 (0.46) MAP4K1ALKPTK2
SCHEMBL28717557 0.88 MAP4K1 (0.51) MAP4K1ALKPTK2
SCHEMBL29558016 0.88 MAP4K1 (0.51) MAP4K1ALKPTK2

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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