SCHEMBL5758352

SCHEMBL5758352

CCn1nc2ccc(Cl)cc2c1C1=C(c2cn(CCCN3CCOCC3)c3ccccc23)C(=O)NC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.58
PRKACA P17612 2/20 0.57
PRKACG P22612 2/20 0.57
PRKACB P22694 2/20 0.57
KDR P35968 2/20 0.51
QPCT Q16769 4/20 0.51
PRKCB P05771 3/20 0.49
PRKCA P17252 3/20 0.49
PRKCG P05129 2/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
PDGFRB P09619 1/20 0.49
CCNB1 P14635 1/20 0.49
PDGFRA P16234 1/20 0.49
PRKCE Q02156 1/20 0.49
PRKCD Q05655 1/20 0.49
CAMK2B Q13554 1/20 0.49
CAMK2G Q13555 1/20 0.49
CAMK2D Q13557 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49

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 0.87 GSK3B (0.67) GSK3BPRKACAPRKACGPRKACBKDR
SCHEMBL5756212 0.80 GSK3B (0.56) GSK3BKDRQPCTPRKCBPRKCA
SCHEMBL5758425 0.79 GSK3B (0.58) GSK3BPRKACAPRKACGPRKACBKDR
SCHEMBL9087475 0.77 PRKACA (0.82) GSK3BPRKACAPRKACGPRKACBQPCT
SCHEMBL5758142 0.77 GSK3B (0.72) GSK3BPRKACAPRKACGPRKACBKDR
SCHEMBL9087381 0.75 PRKACA (0.82) GSK3BPRKACAPRKACGPRKACBKDR
SCHEMBL5759256 0.75 GSK3B (0.69) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4676092 0.75 GSK3B (0.58) GSK3BPRKACAPRKACGPRKACBKDR
SCHEMBL9085155 0.74 PRKACA (0.71) GSK3BPRKACAPRKACGPRKACBKDR
SCHEMBL7824089 0.73 PRKACA (1.00) GSK3BPRKACAPRKACGPRKACBQPCT

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