SCHEMBL7975983

SCHEMBL7975983

CC(C1CCCNC1)n1cc(-c2cncc(-c3cccc(Cl)c3)c2)c2cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK9 P50750 2/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
KDM1A O60341 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
KAT7 O95251 1/20 0.32

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
SCHEMBL7503926 0.92 CCNT1 (0.38) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7994416 0.91 CCNT1 (0.37) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7505916 0.91 CCNT1 (0.38) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7990463 0.89 CHEK1 (0.39) KDM1AFNTAFNTB
SCHEMBL7991127 0.88 CDK7 (0.46) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7993914 0.87 HTR6 (0.38) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7986848 0.87 CCNT1 (0.38) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7987305 0.86 CCNT1 (0.42) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7993904 0.85 KDR (0.38) CDK2KDM1A
SCHEMBL7990500 0.85 KDM1A (0.41) CCNT1CDK9KDM1A

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
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed