SCHEMBL31240675

SCHEMBL31240675

Nc1ccc(CC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 5/20 0.52
▸ CDK1 P06493 3/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ CDK4 P11802 2/20 0.49
▸ JAK2 O60674 5/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAPK14 Q16539 4/20 0.45
▸ RIOK2 Q9BVS4 1/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ FLT1 P17948 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
SCHEMBL31240240 0.92 MAPK14 (0.55) WNT3ACDK1CDK2CDK4JAK2
SCHEMBL31240349 0.92 WNT3A (0.50) WNT3ACDK1CDK2CDK4JAK2
SCHEMBL31240714 0.92 WNT3A (0.55) WNT3ACDK1CDK2CDK4JAK2
SCHEMBL31240493 0.92 WNT3A (0.57) WNT3ACDK1CDK2CDK4JAK2
SCHEMBL31240509 0.92 JAK2 (0.56) WNT3ACDK1CDK2CDK4JAK2
SCHEMBL31240404 0.89 MAPK14 (0.52) WNT3ACDK1CDK2CDK4JAK2
SCHEMBL31240457 0.89 WNT3A (0.50) WNT3ACDK1CDK2CDK4JAK2
SCHEMBL31240322 0.89 MAPK10 (0.58) WNT3ACDK2MEN1KMT2ARAB9A
SCHEMBL31240445 0.89 WNT3A (0.47) WNT3ACDK1CDK2JAK2MEN1
SCHEMBL31240433 0.88 CDK1 (0.51) WNT3ACDK1CDK2CDK4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP claimed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO claimed
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