SCHEMBL5753669

SCHEMBL5753669

COC(=O)CCn1nc(C2=C(c3cn(-c4csc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.72
PRKCA P17252 14/20 0.72
GSK3B P49841 14/20 0.72
PRKCB P05771 13/20 0.72
PRKCG P05129 12/20 0.72
PRKCD Q05655 7/20 0.72
KCNH2 Q12809 7/20 0.51
PRKCZ Q05513 3/20 0.48
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
PRKCH P24723 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
CAMK2D Q13557 2/20 0.42

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
SCHEMBL5758093 0.87 KISS1R (0.81) KISS1RPRKCAGSK3BPRKCBPRKCG
SCHEMBL5793514 0.85 PRKCA (0.90) KISS1RPRKCAGSK3BPRKCBPRKCG
SCHEMBL5754471 0.85 KISS1R (0.82) KISS1RPRKCAGSK3BPRKCBPRKCG
SCHEMBL3785953 0.84 KISS1R (1.00) KISS1RPRKCAGSK3BPRKCBPRKCG
SCHEMBL3773926 0.84 PRKCA (1.00) KISS1RPRKCAGSK3BPRKCBPRKCG
SCHEMBL19751910 0.84 KISS1R (0.83) KISS1RPRKCAGSK3BPRKCBPRKCG
SCHEMBL5758656 0.83 PRKCA (0.95) KISS1RPRKCAGSK3BPRKCBPRKCG
SCHEMBL13580118 0.81 KISS1R (0.78) KISS1RPRKCAGSK3BPRKCBPRKCG
SCHEMBL27502356 0.79 KISS1R (0.70) KISS1RPRKCAGSK3BPRKCBPRKCG
SCHEMBL5759736 0.73 PRKCA (0.70) KISS1RPRKCAGSK3BPRKCBPRKCG

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