SCHEMBL29097718

SCHEMBL29097718

CN1CCN(c2ccc(Nc3ncc(Cl)c(N4CCC(C)(NS(=O)(=O)C5CC5)CC4)n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.59
▸ JAK2 O60674 4/20 0.53
▸ ALK Q9UM73 2/20 0.52
▸ FGFR4 P22455 2/20 0.50
▸ AXL P30530 1/20 0.49
▸ NEK2 P51955 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ BRD2 P25440 1/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ BRD3 Q15059 1/20 0.49
▸ BRDT Q58F21 1/20 0.49
▸ CCNK O75909 1/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ CDK6 Q00534 1/20 0.49
▸ EGFR P00533 1/20 0.48
▸ TNK2 Q07912 3/20 0.48
▸ CHEK1 O14757 1/20 0.48

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
SCHEMBL29097552 0.87 EGFR (0.57) JAK2ALKEGFRTNK2SRC
SCHEMBL29097550 0.86 BRD4 (0.56) BRD4JAK2ALKFGFR4AXL
SCHEMBL29097558 0.83 JAK2 (0.53) BRD4JAK2FGFR4JAK1BRD2
SCHEMBL30621971 0.83 JAK2 (0.53) BRD4JAK2FGFR4JAK1BRD2
SCHEMBL29097711 0.80 ALK (0.49) BRD4JAK2ALKCCNKCCNA2
SCHEMBL29097714 0.79 ABL1 (0.39) BRD4ABL1
SCHEMBL30621965 0.79 ABL1 (0.39) BRD4ABL1
SCHEMBL1885643 0.74 BRD4 (0.70) BRD4JAK2ALKAXLNEK2
SCHEMBL18757714 0.74 BRD4 (1.00) BRD4JAK2ALKJAK1BRD2
SCHEMBL1606982 0.74 BRD4 (0.69) BRD4ALKAXLNEK2CCNK

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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