SCHEMBL7986966

SCHEMBL7986966

Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(N3CCOCC3)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 4/20 0.66
PRKACG P22612 4/20 0.66
PRKACB P22694 4/20 0.66
CCNE2 O96020 3/20 0.66
CDK4 P11802 3/20 0.66
CCND1 P24385 3/20 0.66
CCNE1 P24864 3/20 0.66
CDK2 P24941 3/20 0.66
JAK3 P52333 4/20 0.65
JAK1 P23458 3/20 0.65
GSK3B P49841 3/20 0.58
PRKCB P05771 8/20 0.56
PRKCA P17252 8/20 0.56
PRKCE Q02156 8/20 0.56
PRKCH P24723 6/20 0.56
PRKCD Q05655 6/20 0.56
PRKCQ Q04759 5/20 0.56
CAMK2D Q13557 2/20 0.56
PRKCG P05129 2/20 0.53
SRC P12931 1/20 0.53

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
SCHEMBL7990993 0.93 CDK2 (0.67) PRKACAPRKACGPRKACBCCNE2CDK4
SCHEMBL7597574 0.91 CCNE2 (0.69) PRKACAPRKACGPRKACBCCNE2CDK4
SCHEMBL7530443 0.89 GSK3B (0.72) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7598834 0.88 CDK4 (0.65) PRKACAPRKACGPRKACBCCNE2CDK4
SCHEMBL7977136 0.83 GSK3B (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7976147 0.82 GSK3B (0.56) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7976579 0.82 GSK3B (0.56) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7976571 0.82 GSK3B (0.56) PRKACAPRKACGPRKACBCCNE2CDK4
SCHEMBL7976484 0.81 GSK3B (0.54) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7822250 0.80 CDK4 (1.00) PRKACAPRKACGPRKACBCCNE2CDK4

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
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US claimed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed