SCHEMBL5757333

SCHEMBL5757333

CCN(CC)CCCn1nc(C2=C(c3cn(-c4cnc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.85
PRKCG P05129 12/20 0.85
PRKCB P05771 12/20 0.85
PRKCA P17252 12/20 0.85
KCNH2 Q12809 7/20 0.85
PRKCD Q05655 6/20 0.85
PRKCZ Q05513 3/20 0.85
KISS1R Q969F8 1/20 0.49
CAMK2D Q13557 1/20 0.43
IDH1 O75874 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
SCHEMBL5757856 0.92 GSK3B (1.00) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL3774167 0.88 GSK3B (0.81) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5754534 0.85 GSK3B (0.76) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5756379 0.83 GSK3B (0.81) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5803991 0.83 GSK3B (0.83) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5760645 0.81 GSK3B (0.71) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL3774124 0.81 PRKCA (1.00) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5759260 0.79 GSK3B (0.81) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5759641 0.79 PRKCA (0.95) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5814373 0.78 PRKCA (1.00) GSK3BPRKCGPRKCBPRKCAKCNH2

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