SCHEMBL5757880

SCHEMBL5757880

CN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4cc(Cl)ccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 15/20 0.85
GSK3B P49841 14/20 0.85
PRKCB P05771 14/20 0.85
PRKCG P05129 12/20 0.85
KCNH2 Q12809 7/20 0.85
PRKCD Q05655 6/20 0.85
PRKCZ Q05513 3/20 0.85
IDH1 O75874 2/20 0.49
KISS1R Q969F8 1/20 0.46
PRKCE Q02156 1/20 0.46
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45

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
SCHEMBL5754128 0.94 PRKCA (0.85) PRKCAGSK3BPRKCBPRKCGKCNH2
SCHEMBL13013272 0.92 GSK3B (1.00) PRKCAGSK3BPRKCBPRKCGKCNH2
SCHEMBL3771437 0.87 PRKCA (0.84) PRKCAGSK3BPRKCBPRKCGKCNH2
SCHEMBL13013368 0.86 GSK3B (0.88) PRKCAGSK3BPRKCBPRKCGKCNH2
SCHEMBL5757325 0.85 GSK3B (0.83) PRKCAGSK3BPRKCBPRKCGKCNH2
SCHEMBL3774763 0.85 PRKCA (0.85) PRKCAGSK3BPRKCBPRKCGKCNH2
SCHEMBL5814373 0.84 PRKCA (1.00) PRKCAGSK3BPRKCBPRKCGKCNH2
SCHEMBL3770811 0.84 PRKCA (0.66) PRKCAGSK3BPRKCBPRKCGKCNH2
SCHEMBL5756774 0.84 GSK3B (0.88) PRKCAGSK3BPRKCBPRKCGKCNH2
SCHEMBL4337262 0.84 GSK3B (0.83) PRKCAGSK3BPRKCBPRKCGKCNH2

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