SCHEMBL7987757

SCHEMBL7987757

CN1CCN(c2ccc3c(C4=C(c5cn(C)c6ccccc56)C(=O)NC4=O)cn(C)c3c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.66
CDK4 P11802 1/20 0.66
CCND1 P24385 1/20 0.66
CCNE1 P24864 1/20 0.66
CDK2 P24941 1/20 0.66
PRKCB P05771 4/20 0.63
PRKCA P17252 4/20 0.63
PRKCE Q02156 3/20 0.63
PRKCD Q05655 3/20 0.63
PRKCH P24723 2/20 0.63
PRKCQ Q04759 1/20 0.63
GSK3B P49841 3/20 0.61
PRKCG P05129 2/20 0.61
PRKCZ Q05513 1/20 0.61
CAMK2B Q13554 1/20 0.61
CAMK2G Q13555 1/20 0.61
CAMK2D Q13557 1/20 0.61
CAMK2A Q9UQM7 1/20 0.61
JAK3 P52333 1/20 0.58

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
SCHEMBL7976776 0.92 CDK4 (0.67) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7987101 0.91 CDK4 (0.66) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3547465 0.89 CDK4 (0.60) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7530443 0.89 GSK3B (0.72) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL990030 0.83 GSK3B (0.62) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL13038942 0.82 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4543351 0.82 PRKCB (0.69) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30319849 0.81 CCNE2 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5686048 0.81 CCNE2 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7597574 0.81 CCNE2 (0.69) 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 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