SCHEMBL6824049

SCHEMBL6824049

CC(C)n1cnc2c(NCc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc21

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.83
CDK2 P24941 19/20 0.83
CCNE2 O96020 16/20 0.83
CCNA2 P20248 16/20 0.83
CCNA1 P78396 16/20 0.83
CDK1 P06493 1/20 0.74
CCNT1 O60563 1/20 0.73
CDK7 P50613 1/20 0.73
CDK9 P50750 1/20 0.73
CCNH P51946 1/20 0.73
CDK5 Q00535 1/20 0.73
CDK5R1 Q15078 1/20 0.73

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 SCHEMBL6821075 0.99 CCNE1 (0.82) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6820601 0.90 CCNE2 (0.73) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6820605 0.90 CCNE2 (0.73) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6821200 0.89 CCNE2 (0.90) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6821203 0.89 CCNE2 (0.90) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6822214 0.89 CCNE2 (0.72) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6821698 0.89 CCNE2 (0.72) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6824017 0.88 CCNE2 (0.88) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6820812 0.88 CCNE2 (0.88) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6820813 0.88 CCNE2 (0.88) 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 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