SCHEMBL6473806

SCHEMBL6473806

Cc1[nH]c(=O)c(Cl)c(OCc2ccc(F)cc2F)c1Cc1cnc(C(=O)NCC(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.37
MAPK11 Q15759 2/20 0.37
GABRA1 P14867 1/20 0.37
ULK1 O75385 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGER1 P34995 2/20 0.34
P2RX7 Q99572 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PTGES O14684 1/20 0.33

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
SCHEMBL6470897 0.92 MAPK14 (0.37) MAPK14MAPK11MEN1KMT2APTGER1
SCHEMBL6471671 0.87 PTGER1 (0.42) MAPK14PTGER1
SCHEMBL6474965 0.85 MAPK14 (0.39) MAPK14MAPK11P2RX7
SCHEMBL6471283 0.85 PDE3B (0.37) MAPK14MAPK11GABRA1PTGER1
SCHEMBL6474519 0.81 MAPK14 (0.46) MAPK14MAPK11P2RX7
SCHEMBL6471970 0.81 MAPK14 (0.44) MAPK14MAPK11PTGER1P2RX7PSEN1
SCHEMBL6472626 0.80 MAPK14 (0.40) MAPK14MAPK11P2RX7
SCHEMBL6471507 0.79 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4389818 0.78 MAPK14 (0.43) MAPK14MAPK11P2RX7
SCHEMBL6471998 0.77 MAPK14 (0.43) MAPK14MAPK11PTGER1

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed