SCHEMBL7458071

SCHEMBL7458071

CCCNc1nc(NC2CCC(N)CC2)nc2c1ncn2C(C)CC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.62
CDK2 P24941 19/20 0.62
CCNE2 O96020 18/20 0.62
CCNA2 P20248 16/20 0.62
CCNA1 P78396 16/20 0.62
CCNT1 O60563 3/20 0.58
CDK9 P50750 3/20 0.58
CCNT2 O60583 2/20 0.58
FLT3 P36888 1/20 0.56
CDK7 P50613 1/20 0.56
CCNH P51946 1/20 0.56
CDK5 Q00535 1/20 0.56
CDK5R1 Q15078 1/20 0.56

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
SCHEMBL5192607 1.00 CCNE1 (0.62) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL5627261 0.99 CDK2 (0.63) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL5193721 0.92 CDK2 (0.60) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL5193714 0.92 CDK2 (0.60) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL5626690 0.91 CDK2 (0.60) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL5626684 0.91 CDK2 (0.60) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6817978 0.87 CCNE1 (0.69) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6817973 0.87 CCNE1 (0.69) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6821676 0.86 CDK2 (0.69) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6821675 0.86 CDK2 (0.69) CCNE1CDK2CCNE2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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