SCHEMBL30621969

SCHEMBL30621969

CN1CCN(c2ccc(Nc3nccc(N4CCC(C)(NC(=O)[C@@H]5CC5(F)F)CC4)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.54
▸ FLT3 P36888 4/20 0.54
▸ JAK1 P23458 10/20 0.47
▸ TYK2 P29597 9/20 0.47
▸ JAK3 P52333 5/20 0.47
▸ KDR P35968 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MET P08581 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.43
▸ HRH3 Q9Y5N1 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
SCHEMBL29097561 1.00 JAK2 (0.54) JAK2FLT3JAK1TYK2JAK3
SCHEMBL23276667 0.84 JAK1 (0.67) JAK2JAK1TYK2JAK3KDR
SCHEMBL23299607 0.84 JAK1 (0.67) JAK2JAK1TYK2JAK3KDR
SCHEMBL29097711 0.84 ALK (0.49) JAK2FLT3EGFR
SCHEMBL29097572 0.80 MAP3K7 (0.47) JAK2TYK2JAK3EGFR
SCHEMBL29097558 0.79 JAK2 (0.53) JAK2FLT3JAK1JAK3EGFR
SCHEMBL30621971 0.79 JAK2 (0.53) JAK2FLT3JAK1JAK3EGFR
SCHEMBL29097710 0.77 JAK1 (0.55) JAK2JAK1TYK2JAK3KDR
SCHEMBL28322770 0.76 JAK2 (0.71) JAK2FLT3JAK3EGFRMKNK1
SCHEMBL23277056 0.73 JAK1 (0.64) JAK2JAK1TYK2JAK3KDR

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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