SCHEMBL5567807

SCHEMBL5567807

CNC(=NCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1)NC#N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 5/20 0.41
▸ MAPK12 P53778 5/20 0.41
▸ MAPK11 Q15759 5/20 0.41
▸ MAPK14 Q16539 5/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ DHODH Q02127 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.31

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
SCHEMBL5567770 0.93 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4267567 0.91 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL30197833 0.91 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4174246 0.89 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4174248 0.89 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4181956 0.88 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4181959 0.88 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4186708 0.87 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4186705 0.87 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13853008 0.86 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14KCNH2

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
EP-1868612-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-26 — — EP claimed
WO-2006110298-A2 8-ALKYL/ARYL-4-ARYL-2-N- (ALKYLAMINO)-N'-SUBSTITUTED-N'-CYANOGUANIDINO-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE COMPOUNDS AND USE THEREOF GLAXO GROUP LIMITED (GB) 2006-10-19 — — WO claimed
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