SCHEMBL6644237

SCHEMBL6644237

CS(=O)(=O)OCC#Cc1cc2sccc2c(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.49
ERBB2 P04626 14/20 0.49
GAK O14976 1/20 0.48
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6637307 0.90 EGFR (0.51) EGFRERBB2GAK
SCHEMBL6685298 0.85 EGFR (0.49) EGFRERBB2GAK
SCHEMBL6258057 0.81 EGFR (0.51) EGFRERBB2GAK
SCHEMBL6641709 0.81 EGFR (0.54) EGFRERBB2GAK
SCHEMBL7067445 0.80 EGFR (0.53) EGFRERBB2GAK
SCHEMBL6484932 0.79 EGFR (0.72) EGFRERBB2GAK
SCHEMBL2702580 0.79 EGFR (0.64) EGFRERBB2GAKMEN1KMT2A
SCHEMBL6485217 0.79 EGFR (0.69) EGFRERBB2
Hydrochloric Acid SCHEMBL6254830 0.79 EGFR (0.60) EGFRERBB2GAK
SCHEMBL6257107 0.78 EGFR (0.54) EGFRERBB2

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-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO disclosed