SCHEMBL9834730

SCHEMBL9834730

Cc1cc(C(F)(F)F)cc2c1CC(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.42
CDK5 Q00535 8/20 0.42
CDK5R1 Q15078 8/20 0.42
CCNB2 O95067 6/20 0.42
CDK1 P06493 6/20 0.42
CCNB1 P14635 6/20 0.42
CCNB3 Q8WWL7 6/20 0.42
TDP2 O95551 2/20 0.41
KIF11 P52732 4/20 0.40
POLB P06746 2/20 0.40
GSK3A P49840 2/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL24355256 0.81 GSK3B (0.44) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL5378136 0.78 CA12 (0.40) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL25746058 0.75 GSK3B (0.38) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL12992123 0.75 GRIA1 (0.41) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL10129810 0.75 POLB (0.37) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL31734651 0.71 TDP2 (0.54) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL3224720 0.70 TDP2 (0.66) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL18210207 0.70 SRC (0.47) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL10714014 0.70 GRIA1 (0.49) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL29521546 0.68 PARP10 (0.38)

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-0208510-B1 1-SUBSTITUTED OXINDOLE-3-CARBOXAMINES AS ANTIINFLAMMATORY AND ANALGESIC AGENTS PFIZER INC. (US) 1991-09-11 EP disclosed
US-4791129-A RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-12-13 US disclosed
US-4725616-A ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-02-16 US disclosed
EP-0208510-A2 1-Substituted oxindole-3-carboxamines as antiinflammatory and analgesic agents PFIZER INC. (US) 1987-01-14 EP disclosed