SCHEMBL5758142

SCHEMBL5758142

CCn1cc(C2=C(c3nn(CCCN4CCOCC4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.72
PRKCG P05129 4/20 0.69
PRKCB P05771 4/20 0.69
PRKCA P17252 4/20 0.69
KCNH2 Q12809 3/20 0.69
PRKACA P17612 2/20 0.60
PRKACG P22612 2/20 0.60
PRKACB P22694 2/20 0.60
CCNB2 O95067 1/20 0.56
CDK1 P06493 1/20 0.56
PDGFRB P09619 1/20 0.56
CCNB1 P14635 1/20 0.56
PDGFRA P16234 1/20 0.56
KDR P35968 1/20 0.56
PRKCE Q02156 1/20 0.56
PRKCD Q05655 1/20 0.56
CAMK2B Q13554 1/20 0.56
CAMK2G Q13555 1/20 0.56
CAMK2D Q13557 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56

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
SCHEMBL5758099 0.85 GSK3B (0.67) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5754176 0.83 PRKCA (0.75) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5759256 0.82 GSK3B (0.69) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL3781777 0.82 GSK3B (0.76) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL3774039 0.82 GSK3B (1.00) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5756379 0.79 GSK3B (0.81) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5756212 0.77 GSK3B (0.56) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5758425 0.77 GSK3B (0.58) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5758352 0.77 GSK3B (0.58) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL3768464 0.76 PRKCA (0.65) GSK3BPRKCGPRKCBPRKCAKCNH2

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 3 patents. 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
EP-1362047-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-11-19 EP disclosed
WO-2002046183-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed