SCHEMBL5584207

SCHEMBL5584207

C=C(O)c1ccc(C)c(-c2nc(SC)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.38
MAPK13 O15264 6/20 0.38
MAPK12 P53778 6/20 0.38
MAPK11 Q15759 6/20 0.38
KCNH2 Q12809 2/20 0.38
PDE7A Q13946 6/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE7B Q9NP56 2/20 0.37
RAF1 P04049 1/20 0.31
PDGFRA P16234 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
PDE5A O76074 1/20 0.31
LCK P06239 1/20 0.31
KIT P10721 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2719589 0.92 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4946888 0.88 IL2 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL14028120 0.87 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL14046335 0.87 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5584200 0.87 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL14303659 0.86 RXFP1 (0.35) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2719310 0.85 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2721566 0.84 LMNA (0.41) MAPK14KDM4E
SCHEMBL2720187 0.84 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2720800 0.84 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11KCNH2

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-2447266-A1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LIMITED (GB) 2012-05-02 EP disclosed
WO-2006104915-A9 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LTD (GB) 2008-01-03 WO disclosed