SCHEMBL13688012

SCHEMBL13688012

Nc1ccc2c(c1)nc(NCCn1ccnc1)c1ccsc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 13/20 0.47
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
SOD1 P00441 3/20 0.43
ALDH1A1 P00352 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CYP19A1 P11511 1/20 0.38
TBXAS1 P24557 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11932375 0.87 CSNK2A1 (0.50) CSNK2A1CSNK2A2CSNK2B
SCHEMBL10134928 0.85 CSNK2A1 (0.45) CSNK2A1CSNK2A2CSNK2BSOD1ALDH1A1
SCHEMBL13688041 0.80 CSNK2A1 (0.46) CSNK2A1CSNK2A2CSNK2B
SCHEMBL13688067 0.80 CSNK2A1 (0.71) CSNK2A1CSNK2A2CSNK2B
SCHEMBL10169235 0.79 CSNK2A1 (0.69) CSNK2A1CSNK2A2CSNK2B
SCHEMBL13688053 0.78 CSNK2A1 (0.56) CSNK2A1CSNK2A2CSNK2B
SCHEMBL13688009 0.77 CSNK2A1 (0.72) CSNK2A1CSNK2A2CSNK2BALDH1A1SMN1; SMN2
SCHEMBL12255832 0.76 CSNK2A1 (0.69) CSNK2A1CSNK2A2CSNK2B
SCHEMBL11932690 0.76 CSNK2A1 (0.50) CSNK2A1CSNK2A2CSNK2B
SCHEMBL13688045 0.76 CSNK2A1 (0.50) CSNK2A1CSNK2A2CSNK2B

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-2009108912-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed