SCHEMBL5757637

SCHEMBL5757637

O=C1NC(=O)C(c2nn(CCCNCCCO)c3ccccc23)=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.73
PRKCA P17252 13/20 0.73
PRKCG P05129 12/20 0.73
PRKCB P05771 12/20 0.73
KCNH2 Q12809 7/20 0.73
PRKCD Q05655 6/20 0.73
PRKCZ Q05513 3/20 0.73
KISS1R Q969F8 1/20 0.51
CAMK2D Q13557 2/20 0.45
IDH1 O75874 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
SCHEMBL3774788 0.93 GSK3B (0.80) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL5757178 0.93 GSK3B (0.79) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL5755363 0.90 GSK3B (0.77) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL4337272 0.86 GSK3B (0.72) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL5757630 0.86 GSK3B (0.84) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL3774124 0.84 PRKCA (1.00) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL4343044 0.84 GSK3B (0.66) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL5759641 0.84 PRKCA (0.95) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL3775079 0.84 GSK3B (1.00) GSK3BPRKCAPRKCGPRKCBKCNH2
SCHEMBL5758391 0.82 GSK3B (0.90) GSK3BPRKCAPRKCGPRKCBKCNH2

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