SCHEMBL5758093

SCHEMBL5758093

O=C1NC(=O)C(c2nn(CCO)c3ccccc23)=C1c1cn(-c2csc3ccccc23)c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.81
GSK3B P49841 13/20 0.77
PRKCB P05771 13/20 0.77
PRKCA P17252 13/20 0.77
PRKCG P05129 12/20 0.77
PRKCD Q05655 7/20 0.77
KCNH2 Q12809 7/20 0.53
PRKCZ Q05513 3/20 0.51
CAMK2D Q13557 2/20 0.46
PRKCH P24723 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
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
SCHEMBL5754471 0.94 KISS1R (0.82) KISS1RGSK3BPRKCBPRKCAPRKCG
SCHEMBL3785953 0.89 KISS1R (1.00) KISS1RGSK3BPRKCBPRKCAPRKCG
SCHEMBL5793514 0.89 PRKCA (0.90) KISS1RGSK3BPRKCBPRKCAPRKCG
SCHEMBL5753669 0.87 KISS1R (0.72) KISS1RGSK3BPRKCBPRKCAPRKCG
SCHEMBL19751910 0.87 KISS1R (0.83) KISS1RGSK3BPRKCBPRKCAPRKCG
SCHEMBL3773926 0.87 PRKCA (1.00) KISS1RGSK3BPRKCBPRKCAPRKCG
SCHEMBL5758656 0.86 PRKCA (0.95) KISS1RGSK3BPRKCBPRKCAPRKCG
SCHEMBL13580118 0.84 KISS1R (0.78) KISS1RGSK3BPRKCBPRKCAPRKCG
SCHEMBL27502356 0.84 KISS1R (0.70) KISS1RGSK3BPRKCBPRKCAPRKCG
SCHEMBL1127687 0.80 GSK3B (0.64) KISS1RGSK3BPRKCBPRKCAPRKCG

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