SCHEMBL5757325

SCHEMBL5757325

COc1ccc2c(c1)c(C1=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC1=O)cn2-c1cccnc1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.83
PRKCB P05771 13/20 0.83
PRKCA P17252 13/20 0.83
PRKCG P05129 12/20 0.83
KCNH2 Q12809 7/20 0.83
PRKCD Q05655 6/20 0.83
PRKCZ Q05513 3/20 0.83
PRKD1 Q15139 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IDH1 O75874 1/20 0.47
KISS1R Q969F8 1/20 0.45
QPCT Q16769 1/20 0.44

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
SCHEMBL13013272 0.91 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5754128 0.90 PRKCA (0.85) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5790814 0.86 PRKCA (0.86) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5757880 0.85 PRKCA (0.85) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL13013368 0.85 GSK3B (0.88) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5756125 0.85 PRKD1 (0.63) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3774763 0.83 PRKCA (0.85) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5814373 0.83 PRKCA (1.00) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3780405 0.83 GSK3B (0.79) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5756774 0.83 GSK3B (0.88) 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