SCHEMBL30633283

SCHEMBL30633283

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)Nc4cccnc4)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 14/20 0.52
▸ WNT1 P04628 9/20 0.50
▸ CLK2 P49760 4/20 0.50
▸ CLK3 P49761 4/20 0.50
▸ JAK2 O60674 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.47
▸ KDR P35968 1/20 0.47

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
SCHEMBL26686348 1.00 DYRK1A (0.52) DYRK1AWNT1CLK2CLK3JAK2
SCHEMBL30633352 0.89 JAK2 (0.56) DYRK1ACLK2JAK2MAPK1KDR
SCHEMBL26685861 0.89 JAK2 (0.56) DYRK1ACLK2JAK2MAPK1KDR
SCHEMBL30633326 0.88 DYRK1A (0.45) DYRK1AWNT1CLK2CLK3JAK2
SCHEMBL31240466 0.85 JAK2 (0.54) DYRK1AWNT1CLK2CLK3JAK2
SCHEMBL30633365 0.85 KDR (0.62) DYRK1ACLK2JAK2MAPK1KDR
SCHEMBL26686045 0.85 KDR (0.57) DYRK1ACLK2JAK2MAPK1KDR
SCHEMBL30633305 0.85 KDR (0.57) DYRK1ACLK2JAK2MAPK1KDR
SCHEMBL26685808 0.85 KDR (0.62) DYRK1ACLK2JAK2MAPK1KDR
SCHEMBL30633343 0.84 MAPK1 (0.54) DYRK1AMAPK1

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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