SCHEMBL6817982

SCHEMBL6817982

CCCCNc1nc(NC2CCC(N)CC2)nc2c1ncn2CCC

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 16/20 0.67
CDK2 P24941 16/20 0.67
PDGFRA P16234 13/20 0.67
CDK1 P06493 4/20 0.56
PRKCA P17252 1/20 0.53
CCNE2 O96020 1/20 0.52
CCNA2 P20248 1/20 0.52
CCNA1 P78396 1/20 0.52

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 SCHEMBL6821677 0.99 CCNE1 (0.66) CCNE1CDK2PDGFRACDK1PRKCA
Hydrochloric Acid SCHEMBL6821680 0.87 CDK2 (0.66) CCNE1CDK2PDGFRACDK1PRKCA
SCHEMBL6817978 0.85 CCNE1 (0.69) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6817973 0.85 CCNE1 (0.69) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6821205 0.84 CDK2 (0.73) CCNE1CDK2PDGFRACDK1CCNE2
Hydrochloric Acid SCHEMBL6821676 0.84 CDK2 (0.69) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6817936 0.84 CDK2 (0.74) CCNE1CDK2PDGFRACDK1CCNE2
SCHEMBL6817943 0.84 CDK2 (0.74) CCNE1CDK2PDGFRACDK1CCNE2
Hydrochloric Acid SCHEMBL6821675 0.84 CDK2 (0.69) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6824019 0.84 CDK2 (0.72) CCNE1CDK2PDGFRACDK1CCNE2

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