SCHEMBL5756774

SCHEMBL5756774

CN(C)CCCn1nc(C2=C(c3cn(-c4ccncc4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.88
PRKCA P17252 14/20 0.88
PRKCB P05771 13/20 0.88
PRKCG P05129 12/20 0.88
PRKCD Q05655 7/20 0.84
KCNH2 Q12809 7/20 0.84
PRKCZ Q05513 3/20 0.84
KISS1R Q969F8 1/20 0.55
PRKACA P17612 2/20 0.52
PRKACG P22612 2/20 0.52
PRKACB P22694 2/20 0.52
PIM1 P11309 1/20 0.52
PRKCH P24723 1/20 0.50
PRKCQ Q04759 1/20 0.50
CAMK2D Q13557 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
SCHEMBL5814373 0.94 PRKCA (1.00) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL13013272 0.91 GSK3B (1.00) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3774763 0.90 PRKCA (0.85) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5758082 0.87 PRKCA (0.81) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3774124 0.87 PRKCA (1.00) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5805666 0.87 PRKCA (0.81) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5759272 0.87 GSK3B (0.77) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5759260 0.86 GSK3B (0.81) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL5755667 0.86 PRKCA (0.82) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL3779553 0.86 PRKCA (0.85) GSK3BPRKCAPRKCBPRKCGPRKCD

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