SCHEMBL8302978

SCHEMBL8302978

O=C1NC(=O)C(c2nn(CCc3nnn[nH]3)c3ccccc23)=C1c1cn(-c2cccnc2)c2ccc(Cl)cc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.59
PRKCB P05771 13/20 0.59
PRKCA P17252 13/20 0.59
PRKCG P05129 12/20 0.59
KCNH2 Q12809 7/20 0.59
PRKCD Q05655 6/20 0.59
PRKCZ Q05513 3/20 0.59
KISS1R Q969F8 1/20 0.42
IDH1 O75874 1/20 0.40
CAMK2D Q13557 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
SCHEMBL14032117 0.89 GSK3B (0.46) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4686966 0.86 GSK3B (0.51) GSK3BPRKCBPRKCAPRKCG
SCHEMBL1127953 0.85 GSK3B (0.68) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL8302980 0.83 GSK3B (0.55) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5754128 0.83 PRKCA (0.85) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL14032147 0.81 CAMK2D (0.40) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL14050971 0.81 GSK3B (0.46) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5756894 0.78 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5757880 0.77 PRKCA (0.85) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3779590 0.76 GSK3B (0.79) 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
WO-2005000836-A1 SUBSTITUTED INDAZOLYL(INDOLYL)MALEIMIDE DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed