SCHEMBL5755241

SCHEMBL5755241

CN(C)CCCn1cc(C2=C(c3n[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 13/20 0.71
PRKACA P17612 3/20 0.71
PRKACG P22612 3/20 0.71
PRKACB P22694 3/20 0.71
PIM1 P11309 2/20 0.71
PRKCB P05771 12/20 0.71
PRKCE Q02156 7/20 0.71
GSK3B P49841 6/20 0.71
PRKCH P24723 3/20 0.71
PRKCQ Q04759 3/20 0.71
PRKCD Q05655 3/20 0.71
CCNB2 O95067 3/20 0.71
CDK1 P06493 3/20 0.71
CCNB1 P14635 3/20 0.71
CCNB3 Q8WWL7 3/20 0.71
PRKCG P05129 3/20 0.71
PRKD1 Q15139 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
MEN1 O00255 1/20 0.71
PRKD3 O94806 1/20 0.71

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
SCHEMBL5326609 0.87 PRKACA (0.69) PRKCAPRKACAPRKACGPRKACBPIM1
SCHEMBL8245376 0.87 CAMK2D (0.69) PRKACAPRKACGPRKACBPIM1
SCHEMBL8239373 0.86 PRKACA (0.71) PRKCAPRKACAPRKACGPRKACBPIM1
SCHEMBL7057981 0.83 PRKCA (1.00) PRKCAPRKACAPRKACGPRKACBPIM1
Gf-109203 SCHEMBL29353725 0.83 PRKACA (1.00) PRKCAPRKACAPRKACGPRKACBPIM1
Gf-109203 SCHEMBL338086 0.83 PRKACA (1.00) PRKCAPRKACAPRKACGPRKACBPIM1
Hydrochloric Acid SCHEMBL8154146 0.82 PRKCA (0.98) PRKCAPRKACAPRKACGPRKACBPIM1
SCHEMBL3774309 0.82 PRKCA (0.65) PRKCAPRKACAPRKACGPRKACBPIM1
Gf-109203 SCHEMBL29534077 0.82 PRKACA (0.98) PRKCAPRKACAPRKACGPRKACBPIM1
Gf-109203 SCHEMBL1199513 0.82 PRKACA (0.98) PRKCAPRKACAPRKACGPRKACBPIM1

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
WO-2007008514-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GEORGETOWN UNIVERSITY (US) 2007-01-18 WO disclosed
EP-1362047-B1 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-05-17 EP disclosed