SCHEMBL29119575

SCHEMBL29119575

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3cccc4c3C(=O)NC4)n1)CCN(CC(F)C(F)F)C2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.57
▸ INSR P06213 1/20 0.53
▸ MAP4K1 Q92918 3/20 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
SCHEMBL29791536 0.88 ALK (0.56) ALKINSRMAP4K1
SCHEMBL24620226 0.88 ALK (0.56) ALKINSRMAP4K1
SCHEMBL30833017 0.87 MAP4K1 (0.68) ALKMAP4K1
SCHEMBL24620274 0.87 MAP4K1 (0.68) ALKMAP4K1
SCHEMBL24620201 0.87 MAP4K1 (0.68) ALKMAP4K1
SCHEMBL30833048 0.87 MAP4K1 (0.68) ALKMAP4K1
SCHEMBL24620377 0.87 ALK (0.57) ALKINSRMAP4K1
SCHEMBL30833012 0.87 ALK (0.57) ALKINSRMAP4K1
SCHEMBL24620253 0.83 ALK (0.64) ALKINSRMAP4K1
SCHEMBL29791331 0.83 ALK (0.64) ALKINSRMAP4K1

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-116940565-A Isoindolinone aminopyrimidine compounds as inhibitors of NUAK kinase, compositions and uses thereof 安大略省癌症研究所(OICR) 2023-10-24 — — CN disclosed
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