SCHEMBL31240751

SCHEMBL31240751

Oc1cccc(-c2cc3c(Cl)ccnc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.61
CDK1 P06493 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNB3 Q8WWL7 1/20 0.61
RIPK1 Q13546 5/20 0.59
CDC7 O00311 2/20 0.50
PIM1 P11309 1/20 0.50
CDK9 P50750 1/20 0.50
EGFR P00533 2/20 0.47
MAPK14 Q16539 2/20 0.47
CSF1R P07333 1/20 0.47
EIF2AK2 P19525 1/20 0.46
GSK3B P49841 1/20 0.46
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
MAPKAPK2 P49137 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41

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
SCHEMBL16041244 0.83 CDC7 (0.59) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL31240593 0.83 CDC7 (0.59) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL31240688 0.83 CDK9 (0.50) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL31240729 0.81 CD74 (0.50) CDC7PIM1CDK9EGFRCSF1R
SCHEMBL31240664 0.81 CDK9 (0.48) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL31240620 0.80 PRKCI (0.54) CDK1RIPK1CDC7PIM1CDK9
SCHEMBL20765227 0.80 SCN2A (0.50) CCNB2CDK1CCNB1CCNB3CDC7
SCHEMBL31240562 0.80 CDK9 (0.47) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL2444894 0.80 CCNB2 (0.64) CCNB2CDK1CCNB1CCNB3CDC7
SCHEMBL31240784 0.80 TBK1 (0.53) CCNB2CDK1CCNB1CCNB3CDC7

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 disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 WO disclosed