SCHEMBL9055443

SCHEMBL9055443

NCCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.80
CCND1 P24385 11/20 0.80
CCNE2 O96020 6/20 0.80
CCNE1 P24864 6/20 0.80
CDK2 P24941 6/20 0.80
PRKD3 O94806 5/20 0.76
PRKCG P05129 5/20 0.76
PRKCB P05771 5/20 0.76
PRKCA P17252 5/20 0.76
PRKCH P24723 5/20 0.76
PRKCI P41743 5/20 0.76
PRKCE Q02156 5/20 0.76
PRKCQ Q04759 5/20 0.76
PRKCZ Q05513 5/20 0.76
PRKCD Q05655 5/20 0.76
PRKD1 Q15139 5/20 0.76
PRKACA P17612 3/20 0.76
PRKACG P22612 3/20 0.76
PRKACB P22694 3/20 0.76
MYLK Q15746 2/20 0.56

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
SCHEMBL8463787 0.86 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL20624144 0.85 PRKD3 (0.78) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8120443 0.85 CDK4 (0.74) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL13075769 0.84 CDK4 (0.79) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8316417 0.84 PRKD3 (1.00) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8120626 0.83 CDK4 (0.80) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL20623426 0.82 PRKCG (0.72) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8122531 0.81 MYLK (0.72) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL20624206 0.81 CDK4 (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL22401384 0.81 PRKCQ (0.70) CDK4CCND1CCNE2CCNE1CDK2

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
WO-1996004906-A1 COMPOUNDS FOR THE TREATMENT OF RESTENOSIS THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-22 WO disclosed