SCHEMBL5754543

SCHEMBL5754543

CC(C=O)n1nc(C2=C(c3cn(-c4cnc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 16/20 0.65
PRKCA P17252 16/20 0.65
GSK3B P49841 13/20 0.65
PRKCG P05129 12/20 0.65
PRKCD Q05655 9/20 0.65
KCNH2 Q12809 7/20 0.65
PRKCZ Q05513 3/20 0.65
PRKCH P24723 3/20 0.40
PRKCE Q02156 3/20 0.40
PRKCQ Q04759 3/20 0.40
IDH1 O75874 1/20 0.39
KISS1R Q969F8 1/20 0.38

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
SCHEMBL27502731 0.83 GSK3B (0.62) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL5754534 0.82 GSK3B (0.76) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL3774167 0.79 GSK3B (0.81) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL5757856 0.79 GSK3B (1.00) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL5757333 0.78 GSK3B (0.85) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL5760645 0.76 GSK3B (0.71) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL6069263 0.75 GSK3B (0.61) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL5756379 0.75 GSK3B (0.81) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL27520065 0.70 GSK3B (0.61) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL5803991 0.69 GSK3B (0.83) PRKCBPRKCAGSK3BPRKCGPRKCD

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