SCHEMBL5195563

SCHEMBL5195563

CCC(CC)n1cnc2c(NCc3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc21

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 20/20 0.75
CCNE1 P24864 20/20 0.75
CDK2 P24941 20/20 0.75
CCNA2 P20248 19/20 0.75
CCNA1 P78396 19/20 0.75
CCNB2 O95067 1/20 0.68
CDK1 P06493 1/20 0.68
CDK4 P11802 1/20 0.68
CCNB1 P14635 1/20 0.68
CCND1 P24385 1/20 0.68
FLT3 P36888 1/20 0.68
CCNB3 Q8WWL7 1/20 0.68

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
SCHEMBL5195558 1.00 CCNE2 (0.75) CCNE2CCNE1CDK2CCNA2CCNA1
Cadaverine Tartrate SCHEMBL5629659 0.93 CCNE2 (0.66) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL5196149 0.93 CCNE2 (0.77) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL5195310 0.93 CCNE2 (0.77) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL28746851 0.91 CCNE2 (0.75) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL28746853 0.91 CCNE2 (0.75) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL6821203 0.91 CCNE2 (0.90) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL6821200 0.91 CCNE2 (0.90) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6824017 0.90 CCNE2 (0.88) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6820812 0.90 CCNE2 (0.88) CCNE2CCNE1CDK2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183256-B1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2007-08-22 EP disclosed
US-7122669-B1 Purine derivatives, preparation method and pharmaceutical compositions containing same HOECHST MARION ROUSSEL (FR) 2006-10-17 US disclosed
EP-1183256-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-03-06 EP disclosed
WO-2000071543-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-11-30 WO disclosed