SCHEMBL9980423

SCHEMBL9980423

NS(=O)(=O)c1ccc(N2CCOCC2)c(CNc2nc[nH]c3ncc(Br)c2-3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
EGFR P00533 2/20 0.41
ABL1 P00519 1/20 0.41
ERBB2 P04626 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR2 P21802 1/20 0.41
EPHA2 P29317 1/20 0.41
EPHB2 P29323 1/20 0.41
KDR P35968 1/20 0.41
BRAF P15056 5/20 0.40
TNNI3K Q59H18 4/20 0.40
NUAK1 O60285 1/20 0.39
STK16 O75716 1/20 0.39
NTRK1 P04629 1/20 0.39
CSF1R P07333 1/20 0.39
CSNK2A2 P19784 1/20 0.39

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
SCHEMBL9980391 0.90 EGFR (0.41) SRCEGFRABL1ERBB2MET
SCHEMBL9980404 0.68 STK4 (0.39) SRCEGFRBRAFTNNI3KNUAK1
SCHEMBL1809126 0.68 SRC (0.43) SRCEGFRKDRBRAFTNNI3K
SCHEMBL9980448 0.67 LRRK2 (0.42) SRCEGFRABL1BRAFTNNI3K
SCHEMBL2225236 0.67 TNNI3K (0.51) EGFRTNNI3KTYK2CA1CA2
SCHEMBL2227348 0.66 JAK2 (0.45) SRCEGFRCSF1RTYK2TBK1
SCHEMBL9980436 0.66 TNNI3K (0.37) EGFRBRAFTNNI3KCA1CA2
SCHEMBL9980493 0.64 TNNI3K (0.36) EGFRBRAFTNNI3KCA1CA2
SCHEMBL9980424 0.63 TNNI3K (0.35) EGFRERBB2BRAFTNNI3KCA1
SCHEMBL1806924 0.60 MAPK1 (0.52) EGFRALDH1A1

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-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed