SCHEMBL5808261

SCHEMBL5808261

OCCn1cc(-c2ccnc(NC3(O)CCCCC3)n2)c2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.53
CDK1 P06493 4/20 0.53
CCNB1 P14635 4/20 0.53
CCNB3 Q8WWL7 4/20 0.53
GSK3B P49841 7/20 0.49
DYRK1A Q13627 2/20 0.43
FLT3 P36888 2/20 0.40
PRKCB P05771 3/20 0.39
PRKCA P17252 2/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CCND1 P24385 4/20 0.38
CDK6 Q00534 4/20 0.38
PRKCG P05129 1/20 0.38

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
SCHEMBL5807760 0.90 CCNB2 (0.53) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL3770147 0.81 CDK1 (0.78) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL5808258 0.77 CDK1 (0.61) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL3775610 0.77 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL3775606 0.77 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL13239584 0.71 GSK3B (0.77) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL13061452 0.70 CDK1 (0.78) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL3763115 0.69 CDK1 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL2539201 0.68 GSK3B (0.66) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL13008036 0.68 CDK1 (0.74) CCNB2CDK1CCNB1CCNB3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050076-A1 PYRIMIDINYL SUBSTITUTED FUSED-PYRROLYL COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO disclosed