SCHEMBL30633358

SCHEMBL30633358

CCc1ccccc1NC(=O)Nc1cc(-c2ccc3[nH]nc(N)c3c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ MAPK1 P28482 8/20 0.45
▸ PLK4 O00444 3/20 0.43
▸ AURKB Q96GD4 3/20 0.43
▸ GSK3A P49840 2/20 0.43
▸ DAPK3 O43293 2/20 0.43
▸ DYRK3 O43781 2/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ RPS6KB1 P23443 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ MARK3 P27448 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ LIMK1 P53667 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ PRKCD Q05655 2/20 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
SCHEMBL26686302 1.00 JAK2 (0.46) JAK2JAK1MAPK1PLK4AURKB
SCHEMBL26686360 0.88 KDR (0.52) JAK2JAK1MAPK1MAPTKDR
SCHEMBL30633321 0.88 KDR (0.52) JAK2JAK1MAPK1MAPTKDR
SCHEMBL26686141 0.85 JAK2 (0.45) JAK2JAK1MAPK1DYRK1ACYP3A4
SCHEMBL30633313 0.85 JAK2 (0.45) JAK2JAK1MAPK1DYRK1ACYP3A4
SCHEMBL30633312 0.85 JAK2 (0.45) JAK2JAK1MAPK1DYRK1ASMN1; SMN2
SCHEMBL30633352 0.83 JAK2 (0.56) JAK2JAK1MAPK1PLK4AURKB
SCHEMBL31240315 0.83 MAPK1 (0.56) JAK2MAPK1PLK4AURKBGSK3A
SCHEMBL26685764 0.83 MAPK1 (0.56) JAK2MAPK1PLK4AURKBGSK3A
SCHEMBL26685861 0.83 JAK2 (0.56) JAK2JAK1MAPK1PLK4AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN claimed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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