SCHEMBL6946504

SCHEMBL6946504

COc1ccc(CNc2nc(NC3CCC(N)CC3)nc3c2ncn3C(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 19/20 0.81
CCNE1 P24864 19/20 0.81
CDK2 P24941 19/20 0.81
CCNA2 P20248 18/20 0.81
CCNA1 P78396 18/20 0.81
TDP1 Q9NUW8 1/20 0.74

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
SCHEMBL6946498 1.00 CCNE2 (0.81) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6949546 0.99 CCNE2 (0.79) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6949543 0.99 CCNE2 (0.79) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL6821200 0.89 CCNE2 (0.90) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL6821203 0.89 CCNE2 (0.90) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6820812 0.88 CCNE2 (0.88) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6821251 0.88 CCNE2 (0.88) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6824017 0.88 CCNE2 (0.88) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6820813 0.88 CCNE2 (0.88) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6943551 0.88 CCNE2 (0.71) 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 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 disclosed