SCHEMBL29097572

SCHEMBL29097572

CN1CCN(c2ccc(Nc3ncc(Cl)c(CN4CCC(C)(NC(=O)[C@@H]5CC5(F)F)CC4)n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 5/20 0.47
▸ ALK Q9UM73 3/20 0.47
▸ EGFR P00533 2/20 0.45
▸ MAP2K1 Q02750 3/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ SRC P12931 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ SLC2A1 P11166 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ LCK P06239 2/20 0.44
▸ CCNK O75909 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ TNK2 Q07912 3/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ JAK2 O60674 1/20 0.43

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
SCHEMBL29097720 0.88 EGFR (0.51) MAP3K7ALKEGFRSRCTNK2
SCHEMBL29097711 0.87 ALK (0.49) MAP3K7ALKEGFRMAP2K1FGFR1
SCHEMBL31318206 0.84 MAP3K7 (0.47) MAP3K7ALKEGFRMAP2K1FGFR1
SCHEMBL29097550 0.81 BRD4 (0.56) MAP3K7ALKEGFRFGFR1SRC
SCHEMBL29097716 0.81 ALK (0.57) MAP3K7ALKMAP2K1FGFR1SRC
SCHEMBL30621972 0.81 ALK (0.57) MAP3K7ALKMAP2K1FGFR1SRC
SCHEMBL29097715 0.80 SLC2A1 (0.51) MAP3K7ALKEGFRMAP2K1FGFR1
SCHEMBL29097561 0.80 JAK2 (0.54) EGFRJAK2TYK2JAK3
SCHEMBL30621969 0.80 JAK2 (0.54) EGFRJAK2TYK2JAK3
SCHEMBL29097568 0.80 DPP4 (0.32) JAK2TYK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4745132-A1 PYRIMIDINAMINE NUAK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Technoderma Medicines Inc. (CN) 2026-05-20 — — EP disclosed
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
CN-116903592-A Pyrimidine amine NUAK inhibitor and preparation method and application thereof 特科罗生物科技(成都)有限公司 2023-10-20 — — CN disclosed
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