SCHEMBL6509449

SCHEMBL6509449

O=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(F)c2)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.52
MAPK13 O15264 5/20 0.52
MAPK12 P53778 5/20 0.52
MAPK11 Q15759 5/20 0.52
RIPK3 Q9Y572 2/20 0.44
GRIN1 Q05586 4/20 0.43
GRIN2B Q13224 4/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 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
SCHEMBL4091509 0.95 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL13741471 0.75 MAPK1 (0.47) RIPK3KMT2AALDH1A1MEN1
SCHEMBL4099610 0.74 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL5091878 0.73 TDP1 (0.53) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL5858727 0.73 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL6583283 0.73 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL3233018 0.71 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL4097997 0.70 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL3230997 0.70 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL5095878 0.69 RIPK3 (0.57) MAPK14RIPK3

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-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO disclosed