SCHEMBL7500917

SCHEMBL7500917

Cn1cc(C2=C(c3cn(C)c4cc(Br)ccc34)C(=O)NC2=O)c2ccc(N)cc21

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.59
CDK4 P11802 3/20 0.58
CCND1 P24385 3/20 0.58
CDK2 P24941 3/20 0.58
CCNE2 O96020 2/20 0.58
CCNE1 P24864 2/20 0.58
PRKCA P17252 1/20 0.57
CAMK2D Q13557 1/20 0.56
CCNT1 O60563 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND3 P30281 1/20 0.49
CDK9 P50750 1/20 0.49
CDK3 Q00526 1/20 0.49
CDK6 Q00534 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49

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
SCHEMBL7496997 0.92 GSK3B (0.64) GSK3BCDK4CCND1CDK2CCNE2
SCHEMBL7529336 0.86 CCNE2 (0.77) GSK3BCDK4CCND1CDK2CCNE2
SCHEMBL7495252 0.86 PRKCA (0.61) GSK3BCDK4CCND1CDK2CCNE2
SCHEMBL7054131 0.86 CCNE2 (0.76) GSK3BCDK4CCND1CDK2CCNE2
SCHEMBL7501138 0.85 GSK3B (0.61) GSK3BCDK4CCND1CDK2CCNE2
SCHEMBL7497412 0.85 GSK3B (0.62) GSK3BCDK4CCND1CDK2CCNE2
Hydrochloric Acid SCHEMBL7500381 0.84 GSK3B (0.61) GSK3BCDK4CCND1CDK2CCNE2
SCHEMBL7504842 0.84 PRKCA (0.56) GSK3BCDK4CCND1CDK2CCNE2
SCHEMBL7498988 0.82 GSK3B (0.61) GSK3BCDK4CCND1CDK2CCNE2
SCHEMBL8439689 0.81 GSK3B (0.54) GSK3BCDK4CCND1CDK2CCNE2

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 6 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 claimed
US-6228877-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. 2001-05-08 US claimed
EP-0915870-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 EP claimed
WO-1998004551-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1998-02-05 WO claimed
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