SCHEMBL31318199

SCHEMBL31318199

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 8/20 0.54
▸ EGFR P00533 10/20 0.52
▸ MAP3K7 O43318 1/20 0.51
▸ JAK3 P52333 1/20 0.50
▸ NUAK1 O60285 1/20 0.49
▸ NUAK2 Q9H093 1/20 0.49

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
SCHEMBL31318206 0.88 MAP3K7 (0.47) ALKEGFRMAP3K7
SCHEMBL29097720 0.87 EGFR (0.51) ALKEGFRMAP3K7JAK3NUAK1
SCHEMBL29097557 0.84 EGFR (0.54) ALKEGFR
SCHEMBL30621968 0.84 EGFR (0.59) ALKEGFRMAP3K7
SCHEMBL29097707 0.84 EGFR (0.59) ALKEGFRMAP3K7
SCHEMBL29097555 0.84 EGFR (0.54) ALKEGFRMAP3K7JAK3
SCHEMBL12628011 0.78 ALK (0.71) ALKEGFR
SCHEMBL31318205 0.75 STK17B (0.46) —
SCHEMBL29097572 0.74 MAP3K7 (0.47) ALKEGFRMAP3K7JAK3
SCHEMBL29097552 0.72 EGFR (0.57) ALKEGFR

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
WO-2025011447-A1 PYRIMIDINAMINE NUAK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 特科罗生物科技(成都)有限公司 2025-01-16 — — WO disclosed
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