SCHEMBL13769489

SCHEMBL13769489

CNC(=O)NCCNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3I)c12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.41
MAPK11 Q15759 1/20 0.36
TRPA1 O75762 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
CARM1 Q86X55 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRMT6 Q96LA8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL14440997 0.91 MAPK14 (0.41) MAPK14MAPK11LPAR2CARM1KDM4E
SCHEMBL4017385 0.91 MAPK14 (0.41) MAPK14MAPK11LPAR2CARM1KDM4E
SCHEMBL13769209 0.86 MAPK14 (0.45) MAPK14MAPK11TRPA1LPAR2
SCHEMBL4841418 0.81 MAPK14 (0.41) MAPK14MAPK11LPAR2CARM1ALDH1A1
SCHEMBL4837403 0.78 MAPK14 (0.42) MAPK14MAPK11LPAR2
SCHEMBL14441051 0.77 MAPK14 (0.44) MAPK14MAPK11TRPA1LPAR2CARM1
SCHEMBL4833047 0.77 MAPK14 (0.41) MAPK14MAPK11TRPA1LPAR2
SCHEMBL13764811 0.77 MAPK14 (0.45) MAPK14MAPK11TRPA1LPAR2
SCHEMBL4845132 0.77 MAPK14 (0.41) MAPK14MAPK11TRPA1LPAR2
SCHEMBL4842831 0.77 MAPK14 (0.42) MAPK14MAPK11TRPA1

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
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed