SCHEMBL6942847

SCHEMBL6942847

Cn1cc(C2=C(c3cn(C)c4cc(C(N)=O)ccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.71
CDK4 P11802 1/20 0.71
CCND1 P24385 1/20 0.71
CCNE1 P24864 1/20 0.71
CDK2 P24941 1/20 0.71
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62

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
SCHEMBL6950855 0.87 CCNE2 (0.66) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7079795 0.84 CCNE2 (0.62) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30319849 0.84 CCNE2 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5686048 0.84 CCNE2 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7061077 0.84 CCNE2 (0.76) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7054131 0.84 CCNE2 (0.76) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7505472 0.82 CCNE2 (0.78) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8154922 0.81 GSK3B (0.81) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7529336 0.81 CCNE2 (0.77) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6947545 0.81 CCNE2 (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915872-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2003-05-14 EP disclosed
US-6030994-A ANTIPROLIFERATIVE, TUMOR AND CARCINOGENIC AGENTS; PARTICULARLY FOR TREATMENT OF SOLID TUMORS AND THOSE OF THE BREAST AND COLON HOFFMANN-LA ROCHE INC. (US) 2000-02-29 US disclosed
EP-0915872-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 EP disclosed
US-5856517-A ANTIPROLIFERATIVE AGENTS USEFUL IN THE TREATMENT OF CANCER. HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
WO-1998004552-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1998-02-05 WO disclosed