SCHEMBL7496358

SCHEMBL7496358

COc1cccc2c1c(C1=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC1=O)cn2C

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.60
PRKCA P17252 6/20 0.52
KDR P35968 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
SCHEMBL7500405 0.86 CCNE2 (0.50) GSK3BPRKCA
SCHEMBL668748 0.85 CCNE2 (0.57)
SCHEMBL7502427 0.85 GSK3B (0.75) GSK3BPRKCAKDR
Enmd-981693 SCHEMBL608128 0.84 CCNE2 (0.69) GSK3B
Enmd-981693 SCHEMBL29350364 0.84 CCNE2 (0.69) GSK3B
SCHEMBL7059442 0.83 GSK3B (0.57) GSK3BPRKCA
SCHEMBL8161298 0.83 CCNE2 (0.71) GSK3BPRKCAKDR
SCHEMBL7502568 0.81 GSK3B (0.58) GSK3BPRKCA
SCHEMBL7508119 0.81 CCNE2 (0.56)
SCHEMBL6948330 0.80 CCNE2 (0.54) GSK3B

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
EP-0915870-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2002-09-25 EP disclosed
US-6228877-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. 2001-05-08 US disclosed