SCHEMBL5754952

SCHEMBL5754952

C=Cn1cc(C2=C(c3c4ccccc4nn3CCN(C)C)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 14/20 0.67
GSK3B P49841 13/20 0.67
PRKCB P05771 13/20 0.67
PRKCG P05129 10/20 0.67
PRKCD Q05655 9/20 0.48
KCNH2 Q12809 5/20 0.48
PRKCZ Q05513 4/20 0.48
PRKACA P17612 3/20 0.48
PRKACG P22612 3/20 0.48
PRKACB P22694 3/20 0.48
PIM1 P11309 2/20 0.48
PRKCH P24723 3/20 0.46
PRKCQ Q04759 3/20 0.46
KDR P35968 1/20 0.44
CCNE2 O96020 2/20 0.44
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
PRKCE Q02156 2/20 0.44

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
SCHEMBL3783076 0.90 GSK3B (0.56) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL13013303 0.85 PRKCA (0.63) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL3780543 0.82 PRKCA (0.69) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL5758306 0.80 GSK3B (1.00) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL5758075 0.79 PRKCA (0.70) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL5759736 0.79 PRKCA (0.70) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL5758532 0.75 PRKCA (0.84) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL3771589 0.73 PRKCA (0.84) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL5756702 0.73 GSK3B (0.71) PRKCAGSK3BPRKCBPRKCGPRKCD
SCHEMBL3783864 0.70 PRKCA (0.80) PRKCAGSK3BPRKCBPRKCGPRKCD

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
EP-1362047-B1 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-05-17 EP disclosed