SCHEMBL8907602

SCHEMBL8907602

CNc1cc(-c2ccncc2)c(-c2ccccc2)nn1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.60
CSNK1D P48730 7/20 0.60
MAPK11 Q15759 6/20 0.60
SOAT1 P35610 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
ADORA1 P30542 2/20 0.44
NOTUM Q6P988 1/20 0.42
ADORA2A P29274 1/20 0.41

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
SCHEMBL17728182 0.84 MAPK14 (0.64) MAPK14CSNK1DMAPK11
SCHEMBL16060785 0.80 MAPK14 (0.65) MAPK14CSNK1DMAPK11SMN1; SMN2
SCHEMBL16092216 0.79 MAPK14 (0.65) MAPK14CSNK1DMAPK11SOAT1SMN1; SMN2
SCHEMBL1753203 0.79 SOAT1 (0.59) MAPK14CSNK1DMAPK11SOAT1SMN1; SMN2
SCHEMBL1752998 0.79 SOAT1 (0.59) MAPK14CSNK1DMAPK11SOAT1SMN1; SMN2
SCHEMBL1753077 0.78 SOAT1 (0.58) MAPK14CSNK1DMAPK11SOAT1
SCHEMBL1753173 0.78 SOAT1 (0.58) MAPK14CSNK1DMAPK11SOAT1
SCHEMBL16092108 0.77 PDE3B (0.42) MAPK14
SCHEMBL1753214 0.76 SOAT1 (0.50) MAPK14CSNK1DMAPK11SOAT1
SCHEMBL1599078 0.76 SOAT1 (0.50) MAPK14CSNK1DMAPK11SOAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188096-B2 Protein kinase targeted therapeutics NORTHWESTERN UNIVERSITY (US) 2012-05-29 US disclosed
US-8188096-B2 Protein kinase targeted therapeutics NORTHWESTERN UNIVERSITY (US) 2012-05-29 US disclosed