SCHEMBL7990320

SCHEMBL7990320

Cn1cc(C2=C(c3cn(P(=O)(O)OC(Cc4ccccc4)c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.43
GSK3B P49841 2/20 0.43
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 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
SCHEMBL6424448 0.82 CCNE2 (0.54) PRKCAGSK3BCCNE2CDK4CCND1
SCHEMBL7651446 0.81 CCNE2 (0.47) PRKCAGSK3BCCNE2CDK4CCND1
SCHEMBL6952810 0.81 CCNT1 (0.37) PRKCAGSK3BCDK2
Enmd-981693 SCHEMBL608128 0.77 CCNE2 (0.69) GSK3BCCNE2CDK4CCND1CCNE1
Enmd-981693 SCHEMBL29350364 0.77 CCNE2 (0.69) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL6956474 0.75 ASAH1 (0.38) CDK2
SCHEMBL668748 0.74 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6427037 0.74 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7497269 0.74 CTSV (0.51) PRKCAGSK3BCCNE2CDK4CCND1
SCHEMBL6425702 0.74 CCNE2 (0.54) CCNE2CDK4CCND1CCNE1CDK2

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-6313143-B1 USEFUL IN THERAPY OF CELL PROLIFERATIVE DISORDERS SUCH AS CANCER HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed