SCHEMBL6820737

SCHEMBL6820737

CCCNc1nc(N[C@H]2CC[C@H](N)CC2)nc2c1ncn2C1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.76
CCNE1 P24864 14/20 0.76
CDK1 P06493 12/20 0.76
CCNE2 O96020 5/20 0.76
CCNB2 O95067 4/20 0.76
CDK4 P11802 4/20 0.76
CCNB1 P14635 4/20 0.76
CCND1 P24385 4/20 0.76
CCNB3 Q8WWL7 4/20 0.76
FLT3 P36888 7/20 0.71
CCNA2 P20248 1/20 0.67
CCNA1 P78396 1/20 0.67
PDGFRA P16234 5/20 0.66
SRC P12931 1/20 0.66

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
SCHEMBL6820736 1.00 CDK2 (0.76) CDK2CCNE1CDK1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6817852 0.99 CDK2 (0.75) CDK2CCNE1CDK1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6821236 0.99 CDK2 (0.75) CDK2CCNE1CDK1CCNE2CCNB2
SCHEMBL6817936 0.94 CDK2 (0.74) CDK2CCNE1CDK1CCNE2CCNB2
SCHEMBL6817943 0.94 CDK2 (0.74) CDK2CCNE1CDK1CCNE2CCNB2
SCHEMBL6820747 0.93 CDK2 (0.72) CDK2CCNE1CDK1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6820983 0.93 CDK2 (0.72) CDK2CCNE1CDK1CCNE2CCNB2
SCHEMBL6821306 0.93 CDK2 (0.72) CDK2CCNE1CDK1CCNE2CCNB2
SCHEMBL6820746 0.93 CDK2 (0.72) CDK2CCNE1CDK1CCNE2CCNB2
SCHEMBL6820608 0.93 CDK2 (0.72) CDK2CCNE1CDK1CCNE2CCNB2

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