SCHEMBL6821203

SCHEMBL6821203

CC(C)n1cnc2c(NCc3ccccc3)nc(NC3CCC(N)CC3)nc21

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 20/20 0.90
▸ CCNA2 P20248 20/20 0.90
▸ CCNE1 P24864 20/20 0.90
▸ CDK2 P24941 20/20 0.90
▸ CCNA1 P78396 20/20 0.90

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
SCHEMBL6821200 1.00 CCNE2 (0.90) CCNE2CCNA2CCNE1CDK2CCNA1
Hydrochloric Acid SCHEMBL6821251 0.99 CCNE2 (0.88) CCNE2CCNA2CCNE1CDK2CCNA1
Hydrochloric Acid SCHEMBL6820812 0.99 CCNE2 (0.88) CCNE2CCNA2CCNE1CDK2CCNA1
Hydrochloric Acid SCHEMBL6820813 0.99 CCNE2 (0.88) CCNE2CCNA2CCNE1CDK2CCNA1
Hydrochloric Acid SCHEMBL6824017 0.99 CCNE2 (0.88) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL5195310 0.93 CCNE2 (0.77) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL5196149 0.93 CCNE2 (0.77) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL5195558 0.91 CCNE2 (0.75) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL5195563 0.91 CCNE2 (0.75) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6820601 0.89 CCNE2 (0.73) CCNE2CCNA2CCNE1CDK2CCNA1

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
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