SCHEMBL6080838

SCHEMBL6080838

CN1C(=O)c2c(n3cccc3c3[nH]c4ccccc4c23)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.48
CDK4 P11802 8/20 0.47
CCND1 P24385 8/20 0.47
PRKCA P17252 8/20 0.47
PARP1 P09874 1/20 0.44
PRKD3 O94806 4/20 0.43
PRKCG P05129 4/20 0.43
PRKCB P05771 4/20 0.43
PRKCH P24723 4/20 0.43
PRKCI P41743 4/20 0.43
PRKCE Q02156 4/20 0.43
PRKCQ Q04759 4/20 0.43
PRKCZ Q05513 4/20 0.43
PRKCD Q05655 4/20 0.43
PRKD1 Q15139 4/20 0.43
CCNE2 O96020 4/20 0.43
CCNE1 P24864 4/20 0.43
CDK2 P24941 4/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43

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
SCHEMBL6081666 0.85 CDK4 (0.46) CDK4CCND1PRKCAPARP1CCNE2
SCHEMBL6086984 0.85 CHEK1 (0.48) ROCK2PRKCAPRKCQPRKCDCDK5
SCHEMBL6081548 0.85 CDK4 (0.39) ROCK2CDK4CCND1PRKCAPARP1
SCHEMBL6080997 0.81 CDK4 (0.61) CDK4CCND1PRKCAPARP1PRKD3
SCHEMBL6080842 0.80 CHEK1 (0.52) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5438544 0.79 PRKCA (0.71) ROCK2CDK4CCND1PRKCAPARP1
SCHEMBL14708732 0.77 ROCK2 (0.58) ROCK2CDK4CCND1PRKCAPARP1
SCHEMBL8122606 0.74 CDK4 (0.77) ROCK2CDK4CCND1PRKCAPRKD3
SCHEMBL12270180 0.73 CHEK1 (0.46) ROCK2CDK4CCND1PRKCAPARP1
SCHEMBL6080907 0.70 PRKCA (0.57) ROCK2CDK4CCND1PRKCAPARP1

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-20060004428-A1 Pyrrolo (3,4-c) carbazole and pyrido (2,3-b) pyrrolo (3,4-e) indole derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-01-05 US disclosed