SCHEMBL6942284

SCHEMBL6942284

COc1ccc(CCNc2nc(NC3CCC(N)CC3)nc3c2ncn3C2CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.66
CDK1 P06493 15/20 0.66
CCNE1 P24864 15/20 0.66
CCNE2 O96020 4/20 0.66
CCNB2 O95067 3/20 0.66
CDK4 P11802 3/20 0.66
CCNB1 P14635 3/20 0.66
CCND1 P24385 3/20 0.66
CCNB3 Q8WWL7 3/20 0.66
FLT3 P36888 2/20 0.66
PDGFRA P16234 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
CCNA2 P20248 1/20 0.64
CCNA1 P78396 1/20 0.64
SRC P12931 1/20 0.59

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
SCHEMBL6942289 1.00 CDK2 (0.66) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6944431 0.99 CCNE1 (0.65) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6944436 0.99 CCNE1 (0.65) CDK2CDK1CCNE1CCNE2CCNB2
SCHEMBL5196513 0.91 CDK2 (0.68) CDK2CDK1CCNE1CCNE2CCNB2
SCHEMBL5197548 0.91 CDK2 (0.68) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6946535 0.91 CDK1 (0.77) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6942407 0.91 CDK1 (0.77) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL5194983 0.90 CDK2 (0.67) CDK2CDK1CCNE1CCNE2CCNB2
SCHEMBL6945785 0.90 CDK2 (0.67) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL5194978 0.90 CDK2 (0.67) CDK2CDK1CCNE1CCNE2CCNB2

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-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP claimed