SCHEMBL7815802

SCHEMBL7815802

CN1C(=O)C(O)=C(c2cn(C)c3ccccc23)C1=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.66
CDK9 P50750 4/20 0.66
CDK2 P24941 2/20 0.59
CCNE2 O96020 1/20 0.59
CDK4 P11802 1/20 0.59
CCND1 P24385 1/20 0.59
CCNE1 P24864 1/20 0.59
CCNA2 P20248 1/20 0.54
GSK3B P49841 4/20 0.53
GSK3A P49840 1/20 0.52
PIM1 P11309 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
PRKCA P17252 1/20 0.50

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
SCHEMBL7195024 0.89 CCNT1 (0.76) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL29419482 0.82 CCNT1 (0.61) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL7508106 0.82 CCNT1 (0.61) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6581547 0.82 CCNT1 (0.61) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL29383914 0.82 CCNT1 (0.61) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6949072 0.82 GSK3B (0.68) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL29349877 0.82 GSK3B (0.68) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL29386790 0.81 CCNT1 (0.60) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6099227 0.78 CCNE2 (0.80) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL1063235 0.77 GSK3B (0.61) CCNT1CDK9CDK2CCNE2CDK4

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-0888339-A4 SYNTHESIS OF INDOLYLMALEIMIDES LILLY CO ELI (US) 2001-02-28 EP disclosed
US-6037475-A REACTING OPTIONALLY SUBSTITUTED, N-PROTECTED INDOL-3-YL-ACETAMIDE WITH AN ALKYL OXALATE AND A STRONG ORGANIC BASE IN A POLAR APROTIC SOLVENT FORMING OPTIONALLY SUBSTITUTED 4-(INDOL-3-YL)-3-HYDROXY PYRROLE-2,5-DIONE ELI LILLY & COMPANY (US) 2000-03-14 US disclosed
US-5919946-A REACTING AN ACTIVATED MALEIMIDE WITH AN ORGANOMETALLIC-3-INDOLE IN PRESENCE OF A PALLADIUM TRANSITION METAL CATALYST ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5859261-A PROTEIN KINASE INHIBITORS ELI LILLY AND COMPANY (US) 1999-01-12 US disclosed
EP-0888339-A1 SYNTHESIS OF INDOLYLMALEIMIDES ELI LILLY AND COMPANY (US) 1999-01-07 EP disclosed
WO-1997034890-A1 SYNTHESIS OF INDOLYLMALEIMIDES ELI LILLY AND COMPANY (US) 1997-09-25 WO disclosed