SCHEMBL5760645

SCHEMBL5760645

O=C1NC(=O)C(c2nn(CCC3OCCO3)c3ccccc23)=C1c1cn(-c2cnc3ccccc3c2)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.71
PRKCB P05771 14/20 0.71
PRKCG P05129 13/20 0.71
PRKCA P17252 13/20 0.71
KCNH2 Q12809 7/20 0.71
PRKCD Q05655 7/20 0.71
PRKCZ Q05513 4/20 0.71
KISS1R Q969F8 1/20 0.45
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41

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
SCHEMBL3774167 0.86 GSK3B (0.81) GSK3BPRKCBPRKCGPRKCAKCNH2
SCHEMBL5754534 0.85 GSK3B (0.76) GSK3BPRKCBPRKCGPRKCAKCNH2
SCHEMBL5756379 0.85 GSK3B (0.81) GSK3BPRKCBPRKCGPRKCAKCNH2
SCHEMBL5757856 0.83 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCAKCNH2
SCHEMBL5757333 0.81 GSK3B (0.85) GSK3BPRKCBPRKCGPRKCAKCNH2
SCHEMBL6069263 0.77 GSK3B (0.61) GSK3BPRKCBPRKCGPRKCAKCNH2
SCHEMBL5755363 0.76 GSK3B (0.77) GSK3BPRKCBPRKCGPRKCAKCNH2
SCHEMBL5754543 0.76 PRKCB (0.65) GSK3BPRKCBPRKCGPRKCAKCNH2
SCHEMBL3774788 0.75 GSK3B (0.80) GSK3BPRKCBPRKCGPRKCAKCNH2
SCHEMBL5757178 0.74 GSK3B (0.79) GSK3BPRKCBPRKCGPRKCAKCNH2

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