SCHEMBL4738003

SCHEMBL4738003

Cn1c(=O)c(-c2ccccc2F)cc2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 10/20 0.51
NOD2 Q9HC29 8/20 0.51
ACVR1 Q04771 5/20 0.51
WEE1 P30291 3/20 0.50
ABL1 P00519 2/20 0.43
LCK P06239 1/20 0.43
MAPK14 Q16539 1/20 0.43
SRC P12931 3/20 0.42
EGFR P00533 2/20 0.42
FGFR1 P11362 2/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
STAT5A P42229 1/20 0.42
PKMYT1 Q99640 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
BRAF P15056 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
SCHEMBL4083936 0.87 RIPK2 (0.65) RIPK2NOD2ACVR1WEE1ABL1
SCHEMBL4738344 0.87 RIPK2 (0.52) RIPK2NOD2ACVR1WEE1ABL1
SCHEMBL30837130 0.84 ABL1 (0.52) RIPK2NOD2ACVR1WEE1ABL1
SCHEMBL20563978 0.84 ABL1 (0.52) RIPK2NOD2ACVR1WEE1ABL1
SCHEMBL31635921 0.82 MAPK14 (0.40) RIPK2NOD2ACVR1WEE1MAPK14
SCHEMBL20564935 0.81 RIPK2 (0.66) RIPK2NOD2ACVR1WEE1ABL1
SCHEMBL29498190 0.81 RIPK2 (0.66) RIPK2NOD2ACVR1WEE1ABL1
SCHEMBL20564708 0.81 RIPK2 (0.66) RIPK2NOD2ACVR1WEE1ABL1
SCHEMBL29498175 0.81 RIPK2 (0.66) RIPK2NOD2ACVR1WEE1ABL1
SCHEMBL4739074 0.81 TNK2 (0.46) ABL1SRC

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-2008078249-A1 ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2008-07-03 WO disclosed