SCHEMBL29025264

SCHEMBL29025264

COc1nc2c(cc1Nc1ncc(Cl)c(NCC(C)(C)CC(=O)O)n1)CN(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 15/20 0.46
▸ ALK Q9UM73 2/20 0.44
▸ JAK3 P52333 1/20 0.41
▸ LRRK2 Q5S007 2/20 0.41

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
SCHEMBL29025265 0.82 MAP4K1 (0.46) MAP4K1ALKJAK3LRRK2
SCHEMBL29894017 0.82 MAP4K1 (0.46) MAP4K1ALKJAK3LRRK2
SCHEMBL30462517 0.82 MAP4K1 (0.49) MAP4K1
SCHEMBL29025233 0.82 MAP4K1 (0.49) MAP4K1
SCHEMBL29025267 0.81 MAP4K1 (0.49) MAP4K1ALKJAK3LRRK2
SCHEMBL29025263 0.80 MAP4K1 (0.47) MAP4K1ALKJAK3LRRK2
SCHEMBL29025277 0.79 MAP4K1 (0.48) MAP4K1ALKJAK3LRRK2
SCHEMBL29025223 0.79 MAP4K1 (0.48) MAP4K1ALKJAK3LRRK2
SCHEMBL30462516 0.79 MAP4K1 (0.47) MAP4K1
SCHEMBL29025261 0.79 MAP4K1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348117-A HPK1 kinase inhibitor compounds 杭州阿诺生物医药科技有限公司 2023-06-27 — — CN disclosed
WO-2022199561-A1 HPK1 KINASE INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 2022-09-29 — — WO disclosed
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