SCHEMBL7976559

SCHEMBL7976559

Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccc(N3CCOCC3)cc21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.53
PRKCB P05771 5/20 0.44
PRKCA P17252 5/20 0.44
PRKCE Q02156 3/20 0.44
PRKCG P05129 6/20 0.44
PRKCD Q05655 1/20 0.43
CDK2 P24941 2/20 0.43
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK1 P06493 1/20 0.43
PRKCQ Q04759 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL7988030 0.91 CDK4 (0.45) GSK3BCDK2CCNE2CDK4CCND1
SCHEMBL668748 0.85 CCNE2 (0.57) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7530443 0.85 GSK3B (0.72) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7977136 0.85 GSK3B (0.57) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7599053 0.84 CCNE2 (0.51) PRKCBPRKCAPRKCEPRKCGPRKCD
SCHEMBL7976571 0.84 GSK3B (0.56) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7976579 0.84 GSK3B (0.56) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7976147 0.84 GSK3B (0.56) GSK3BPRKCBPRKCAPRKCEPRKCG
SCHEMBL7988067 0.83 GSK3B (0.39) GSK3BPRKCACDK2CCNE2CDK4
SCHEMBL7976484 0.82 GSK3B (0.54) 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