SCHEMBL5757893

SCHEMBL5757893

CC(=O)OCCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.74
PRKCB P05771 13/20 0.74
PRKCA P17252 13/20 0.74
PRKCG P05129 12/20 0.74
KCNH2 Q12809 7/20 0.74
PRKCD Q05655 6/20 0.74
PRKCZ Q05513 3/20 0.74
KISS1R Q969F8 1/20 0.51
IDH1 O75874 1/20 0.46

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
SCHEMBL3780405 0.90 GSK3B (0.79) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3779590 0.87 GSK3B (0.79) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL14032260 0.87 GSK3B (0.74) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL6984319 0.87 GSK3B (0.78) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3780370 0.86 GSK3B (0.79) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5756894 0.85 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL13013272 0.85 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL13013365 0.85 GSK3B (0.73) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5757323 0.84 GSK3B (0.70) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4337612 0.84 GSK3B (0.74) 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