SCHEMBL6820607

SCHEMBL6820607

CCCn1cnc2c(NCc3cccc(I)c3)nc(NC3CCC(N)CC3)nc21

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 15/20 0.74
CDK2 P24941 15/20 0.74
CCNE2 O96020 5/20 0.72
CDK1 P06493 5/20 0.72
CCNB2 O95067 2/20 0.72
CDK4 P11802 2/20 0.72
CCNB1 P14635 2/20 0.72
CCND1 P24385 2/20 0.72
CCNB3 Q8WWL7 2/20 0.72
PDGFRA P16234 8/20 0.58
CCNA2 P20248 3/20 0.58
CCNA1 P78396 3/20 0.58
FLT3 P36888 1/20 0.56
PRKCA P17252 1/20 0.54

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
Hydrochloric Acid SCHEMBL6822215 0.99 CCNE1 (0.73) CCNE1CDK2CCNE2CDK1CCNB2
SCHEMBL6821205 0.89 CDK2 (0.73) CCNE1CDK2CCNE2CDK1CCNB2
Hydrochloric Acid SCHEMBL6820814 0.89 CDK2 (0.72) CCNE1CDK2CCNE2CDK1CCNB2
Hydrochloric Acid SCHEMBL6824019 0.89 CDK2 (0.72) CCNE1CDK2CCNE2CDK1CCNB2
SCHEMBL7462704 0.86 CCNE1 (0.71) CCNE1CDK2CCNE2CDK1CCNB2
SCHEMBL5196614 0.86 CCNE1 (0.71) CCNE1CDK2CCNE2CDK1CCNB2
SCHEMBL6820601 0.85 CCNE2 (0.73) CCNE1CDK2CCNE2CDK1CCNB2
SCHEMBL6820605 0.85 CCNE2 (0.73) CCNE1CDK2CCNE2CDK1CCNB2
Hydrochloric Acid SCHEMBL5630896 0.85 CCNE1 (0.70) CCNE1CDK2CCNE2CDK1CCNB2
Hydrochloric Acid SCHEMBL6821698 0.85 CCNE2 (0.72) CCNE1CDK2CCNE2CDK1CCNB2

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
EP-1056745-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2004-06-16 EP claimed