SCHEMBL7597574

SCHEMBL7597574

Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(N3CCCC3)cc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 5/20 0.69
CDK4 P11802 5/20 0.69
CCND1 P24385 5/20 0.69
CCNE1 P24864 5/20 0.69
CDK2 P24941 5/20 0.69
PRKACA P17612 5/20 0.69
PRKACG P22612 5/20 0.69
PRKACB P22694 5/20 0.69
PRKCB P05771 6/20 0.59
PRKCA P17252 6/20 0.59
PRKCH P24723 6/20 0.59
PRKCE Q02156 6/20 0.59
PRKCD Q05655 6/20 0.59
PRKCQ Q04759 5/20 0.59
CAMK2D Q13557 4/20 0.58
PRKCG P05129 2/20 0.56
PRKCZ Q05513 2/20 0.56
SRC P12931 1/20 0.56
CAMK2B Q13554 1/20 0.56
CAMK2G Q13555 1/20 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
SCHEMBL7986966 0.91 PRKACA (0.66) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7976776 0.88 CDK4 (0.67) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7987101 0.87 CDK4 (0.66) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7990781 0.86 IDH1 (0.56) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7594754 0.86 CDK4 (0.67) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7990993 0.84 CDK2 (0.67) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7599053 0.83 CCNE2 (0.51) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7822250 0.83 CDK4 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7524580 0.81 GSK3B (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7529269 0.81 GSK3B (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP claimed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US claimed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 WO claimed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed