SCHEMBL6751476

SCHEMBL6751476

CC(C)n1cnc2c(N(Cc3ccccc3)C3CCNCC3)nc(N[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)nc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 19/20 0.48
▸ CCNA2 P20248 19/20 0.48
▸ CCNE1 P24864 19/20 0.48
▸ CDK2 P24941 19/20 0.48
▸ CCNA1 P78396 19/20 0.48
▸ CDK1 P06493 1/20 0.41

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
SCHEMBL6751475 1.00 CCNE2 (0.48) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6753817 0.88 CDK2 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6753818 0.88 CDK2 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6753756 0.86 KMT2A (0.35) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL4372906 0.81 CDK2 (0.54) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL4372901 0.81 CDK2 (0.54) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL4375080 0.78 CDK2 (0.56) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL4377640 0.78 CDK2 (0.56) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL30848442 0.72 CCNE2 (0.73) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL30848443 0.72 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377579-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Aventis Pharmaceuticals Inc. (US) 2004-01-07 — — EP disclosed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 — — WO disclosed
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