SCHEMBL6948330

SCHEMBL6948330

COCn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
PIM1 P11309 1/20 0.53
CAMK2D Q13557 1/20 0.53
GSK3B P49841 1/20 0.52
QPCT Q16769 1/20 0.52

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
SCHEMBL6427037 0.89 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6424296 0.89 CCNE2 (0.50) CCNE2CDK4CCND1CCNE1CDK2
Enmd-981693 SCHEMBL608128 0.89 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
Enmd-981693 SCHEMBL29350364 0.89 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL668748 0.85 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6424699 0.85 PRKACA (0.44)
SCHEMBL7988067 0.85 GSK3B (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6440413 0.84 CCNE2 (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6424161 0.84 PIM1 (0.47) PIM1CAMK2DGSK3BQPCT
SCHEMBL6425117 0.83 CCNE2 (0.52) 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-1064279-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2003-06-25 EP disclosed
EP-1064279-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F.HOFFMANN-LA ROCHE AG (CH) 2001-01-03 EP disclosed
US-6048887-A 3-(1H-INDOL-3-YL)-4-(1-METHYL-6-NITRO-1H-INDOL-3-YL)-PYRROLE-2,5 -DIONE(AND OTHER DERIVATIVES) AS ANTICARCINOGENIC, ANTITUMOR OR ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-04-11 US disclosed
WO-1999047518-A1 SUBSTITUTED BISINDOLYMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-09-23 WO disclosed