SCHEMBL7990286

SCHEMBL7990286

COCc1ccc2c(C3=C(c4cn(C)c5cc(N6CCOCC6)ccc45)C(=O)NC3=O)cn(C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.52
PRKCA P17252 6/20 0.44
PRKCB P05771 5/20 0.44
PRKCE Q02156 3/20 0.44
PRKCG P05129 6/20 0.43
KDR P35968 1/20 0.43
PRKCD Q05655 1/20 0.42
CDK2 P24941 2/20 0.42
CCNE2 O96020 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK1 P06493 1/20 0.42
PRKCQ Q04759 1/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL7976484 0.85 GSK3B (0.54) GSK3BPRKCAPRKCBPRKCEPRKCG
SCHEMBL7977136 0.84 GSK3B (0.57) GSK3BPRKCAPRKCBPRKCEPRKCG
SCHEMBL7530443 0.84 GSK3B (0.72) GSK3BPRKCAPRKCBPRKCEPRKCG
SCHEMBL7976571 0.83 GSK3B (0.56) GSK3BPRKCAPRKCBPRKCEPRKCG
SCHEMBL7976147 0.83 GSK3B (0.56) GSK3BPRKCAPRKCBPRKCEPRKCG
SCHEMBL7976579 0.83 GSK3B (0.56) GSK3BPRKCAPRKCBPRKCEPRKCG
SCHEMBL7988158 0.83 GSK3B (0.51) GSK3BPRKCAPRKCBPRKCEKDR
SCHEMBL7526149 0.80 GSK3B (0.53) GSK3BPRKCAPRKCBPRKCEPRKCG
SCHEMBL7987080 0.80 GSK3B (0.54) GSK3BPRKCAPRKCBPRKCEPRKCG
SCHEMBL6945284 0.80 CCNE2 (0.67) GSK3BPRKCAPRKCBPRKCEKDR

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

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