SCHEMBL5758425

SCHEMBL5758425

CCn1nc(C2=C(c3cn(CCCN4CCN(C)CC4)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.58
PRKCB P05771 4/20 0.58
PRKCA P17252 4/20 0.58
PRKCG P05129 3/20 0.58
KCNH2 Q12809 3/20 0.58
KDR P35968 1/20 0.57
IDH1 O75874 3/20 0.52
QPCT Q16769 2/20 0.51
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
CAMK2D Q13557 1/20 0.48

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
SCHEMBL5756212 0.94 GSK3B (0.56) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5758099 0.92 GSK3B (0.67) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5754325 0.85 GSK3B (0.69) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4680373 0.80 GSK3B (0.60) GSK3BPRKCBPRKCAKDRQPCT
SCHEMBL5758352 0.79 GSK3B (0.58) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5754334 0.79 GSK3B (0.67) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5759256 0.77 GSK3B (0.69) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5758142 0.77 GSK3B (0.72) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3779533 0.76 PRKCA (0.64) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5755163 0.74 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGKCNH2

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