SCHEMBL7501138

SCHEMBL7501138

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.61
GSK3A P49840 2/20 0.61
CDK4 P11802 2/20 0.61
CCND1 P24385 2/20 0.61
CDK2 P24941 2/20 0.61
MEN1 O00255 1/20 0.61
RGS12 O14924 1/20 0.61
GMNN O75496 1/20 0.61
USP2 O75604 1/20 0.61
CCNB2 O95067 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CDK1 P06493 1/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
CCNB1 P14635 1/20 0.61

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) GSK3BCDK4CCND1CDK2PRKCA
SCHEMBL8154922 0.86 GSK3B (0.81) GSK3BGSK3ACDK4CCND1CDK2
SCHEMBL7495252 0.86 PRKCA (0.61) GSK3BCDK4CCND1CDK2PRKCA
SCHEMBL7054131 0.86 CCNE2 (0.76) GSK3BCDK4CCND1CDK2PRKCA
SCHEMBL7500917 0.85 GSK3B (0.59) GSK3BCDK4CCND1CDK2CDK1
SCHEMBL7497412 0.85 GSK3B (0.62) GSK3BCDK4CCND1CDK2PRKCA
Hydrochloric Acid SCHEMBL7500381 0.84 GSK3B (0.61) GSK3BCDK4CCND1CDK2PRKCA
SCHEMBL7504842 0.84 PRKCA (0.56) GSK3BCDK4CCND1CDK2PRKCA
SCHEMBL7503653 0.82 GSK3B (0.66) GSK3BGSK3ACDK4CCND1CDK2
SCHEMBL7498988 0.82 GSK3B (0.61) GSK3BCDK4CCND1CDK2PRKCA

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-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
EP-0915870-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 EP disclosed
WO-1998004551-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1998-02-05 WO disclosed