SCHEMBL29097550

SCHEMBL29097550

CN1CCN(c2ccc(Nc3ncc(Cl)c(CN4CCC(C)(NS(=O)(=O)C5CC5)CC4)n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.56
▸ JAK2 O60674 4/20 0.51
▸ ALK Q9UM73 2/20 0.49
▸ TNK2 Q07912 3/20 0.47
▸ FGFR4 P22455 2/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ NEK2 P51955 1/20 0.47
▸ JAK1 P23458 1/20 0.46
▸ BRD2 P25440 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ BRD3 Q15059 1/20 0.46
▸ BRDT Q58F21 1/20 0.46
▸ CCNK O75909 1/20 0.46

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
SCHEMBL29097557 0.88 EGFR (0.54) JAK2ALKTNK2SRCEGFR
SCHEMBL29097718 0.86 BRD4 (0.59) BRD4JAK2ALKTNK2FGFR4
SCHEMBL30621972 0.83 ALK (0.57) BRD4JAK2ALKTNK2CHEK1
SCHEMBL29097716 0.83 ALK (0.57) BRD4JAK2ALKTNK2CHEK1
SCHEMBL31318206 0.82 MAP3K7 (0.47) BRD4ALKFGFR1SRCCCNK
SCHEMBL29097572 0.81 MAP3K7 (0.47) BRD4JAK2ALKTNK2CHEK1
SCHEMBL29097715 0.79 SLC2A1 (0.51) BRD4ALKFGFR1SRCCCNK
SCHEMBL29097706 0.79 SCN9A (0.34) BRD4
SCHEMBL30621970 0.79 SCN9A (0.34) BRD4
SCHEMBL30621971 0.78 JAK2 (0.53) BRD4JAK2FGFR4JAK1BRD2

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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