SCHEMBL29801225

SCHEMBL29801225

COc1cc2c(cc1Nc1ncc(Cl)c(N3C=CCC3)n1)CN(C)CC2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 17/20 0.58
▸ ALK Q9UM73 2/20 0.56
▸ PTK2 Q05397 1/20 0.53

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
SCHEMBL28743739 1.00 MAP4K1 (0.58) MAP4K1ALKPTK2
SCHEMBL29800959 0.86 MAP4K1 (0.57) MAP4K1ALKPTK2
SCHEMBL31378021 0.85 MAP4K1 (0.55) MAP4K1ALKPTK2
SCHEMBL29651308 0.85 MAP4K1 (0.65) MAP4K1ALK
SCHEMBL22864782 0.83 MAP4K1 (0.63) MAP4K1ALK
SCHEMBL29651061 0.83 MAP4K1 (0.63) MAP4K1ALK
SCHEMBL25947626 0.83 MAP4K1 (0.63) MAP4K1ALK
SCHEMBL29651313 0.82 MAP4K1 (0.60) MAP4K1ALK
SCHEMBL22864581 0.82 MAP4K1 (0.60) MAP4K1ALK
SCHEMBL22864471 0.82 MAP4K1 (0.62) MAP4K1ALK

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-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 — — CN disclosed
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