SCHEMBL27683030

SCHEMBL27683030

O=C(O)c1ccc(CNc2ncn(Cc3cccc(F)c3)c(=O)c2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.54
PTGER4 P35408 3/20 0.47
KDM4C Q9H3R0 2/20 0.46
KDM5A P29375 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK14 Q16539 1/20 0.45
PPARA Q07869 1/20 0.44
HSD17B13 Q7Z5P4 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NR4A2 P43354 1/20 0.42
PTGER2 P43116 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
SCHEMBL3524048 0.91 KDM4E (0.48) MMP13KDM4EALDH1A1L3MBTL1MAPK14
SCHEMBL3523270 0.89 MAPK14 (0.49) MMP13KDM4CKDM5AKDM5BKDM4E
SCHEMBL28783619 0.82 ALDH1A1 (0.52) MMP13PTGER4KDM4CKDM5AKDM5B
SCHEMBL3523863 0.81 GRIN1 (0.44) MMP13KDM4EALDH1A1MAPK14LMNA
SCHEMBL3526199 0.81 HSD17B13 (0.52) MMP13KDM4EALDH1A1L3MBTL1MAPK14
SCHEMBL3523859 0.81 MAPK14 (0.57) MMP13KDM4EALDH1A1L3MBTL1MAPK14
SCHEMBL3522187 0.79 MAPK14 (0.48) MMP13KDM4EALDH1A1L3MBTL1MAPK14
SCHEMBL3520420 0.78 MAPK14 (0.48) MMP13KDM4EMAPK14HSD17B13LMNA
SCHEMBL3520013 0.78 MAPT (0.53) MMP13KDM4EALDH1A1L3MBTL1MAPK14
SCHEMBL3525849 0.78 MAPK14 (0.46) MMP13KDM4EMAPK14LMNAMAPT

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
CN-1968937-A Pyrimidin-4-one derivatives and their use as P38 kinase modulators PHARMACIA CORP (US) 2007-05-23 CN disclosed