SCHEMBL7987080

SCHEMBL7987080

Cn1cc(C2=C(c3cn(C)c4cc(C(F)(F)F)ccc34)C(=O)NC2=O)c2ccc(N3CCOCC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.54
JAK3 P52333 2/20 0.49
JAK1 P23458 1/20 0.48
PRKCB P05771 5/20 0.45
PRKCA P17252 5/20 0.45
PRKCE Q02156 3/20 0.45
PRKCG P05129 6/20 0.44
PRKCD Q05655 1/20 0.44
CDK2 P24941 2/20 0.44
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK1 P06493 1/20 0.43
PRKCQ Q04759 1/20 0.43

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
SCHEMBL7523859 0.91 GSK3B (0.55) GSK3BJAK3PRKCACDK2CCNE2
SCHEMBL7976571 0.87 GSK3B (0.56) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7977136 0.85 GSK3B (0.57) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7530443 0.85 GSK3B (0.72) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7976147 0.85 GSK3B (0.56) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7976579 0.85 GSK3B (0.56) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7976484 0.83 GSK3B (0.54) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7526149 0.82 GSK3B (0.53) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7976559 0.81 GSK3B (0.53) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7990286 0.80 GSK3B (0.52) GSK3BPRKCBPRKCAPRKCEPRKCG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US claimed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed