SCHEMBL5758197

SCHEMBL5758197

CN(C)CCCn1nc(C2=C(c3c(-c4ccc5ccccc5c4)n(-c4cccnc4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.64
PRKCB P05771 14/20 0.64
PRKCA P17252 14/20 0.64
PRKCG P05129 13/20 0.64
KCNH2 Q12809 7/20 0.64
PRKCD Q05655 7/20 0.64
PRKCZ Q05513 3/20 0.64
CAMK2D Q13557 1/20 0.38
PRKCH P24723 1/20 0.37
PRKCQ Q04759 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
QPCT Q16769 1/20 0.37

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
SCHEMBL3766535 0.81 GSK3B (0.64) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL13013272 0.78 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3784374 0.77 PRKCA (0.76) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5757325 0.75 GSK3B (0.83) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5754128 0.75 PRKCA (0.85) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5757880 0.75 PRKCA (0.85) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3774124 0.74 PRKCA (1.00) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL2985115 0.74 GSK3B (0.82) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL13013368 0.72 GSK3B (0.88) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5759641 0.72 PRKCA (0.95) 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