SCHEMBL3663623

SCHEMBL3663623

COc1cc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)O)c3)n2)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.70
ITK Q08881 3/20 0.70
SYK P43405 6/20 0.70
PTK2 Q05397 4/20 0.59
AURKA O14965 2/20 0.53
BTK Q06187 2/20 0.52
ADORA3 P0DMS8 1/20 0.51
TYRO3 Q06418 1/20 0.51
CCNT1 O60563 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK9 P50750 1/20 0.51

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
SCHEMBL1221681 0.90 SYK (0.70) EGFRITKSYKPTK2AURKA
SCHEMBL1222113 0.90 EGFR (0.68) EGFRITKSYKPTK2AURKA
SCHEMBL1221703 0.90 EGFR (0.68) EGFRITKSYKPTK2AURKA
SCHEMBL1221887 0.89 EGFR (0.66) EGFRITKSYKPTK2AURKA
SCHEMBL1039968 0.89 EGFR (0.71) EGFRITKSYKPTK2AURKA
SCHEMBL12726303 0.88 EGFR (0.65) EGFRITKSYKPTK2AURKA
SCHEMBL1222061 0.88 EGFR (0.65) EGFRITKSYKPTK2AURKA
SCHEMBL1222074 0.88 EGFR (0.65) EGFRITKSYKPTK2AURKA
Hydrochloric Acid SCHEMBL1037848 0.87 EGFR (0.64) EGFRITKSYKPTK2AURKA
SCHEMBL1038012 0.86 EGFR (0.63) EGFRITKSYKPTK2AURKA

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-2234986-A2 SULFAMIDES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2010-10-06 EP disclosed
WO-2009080638-A2 SULFAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2009-07-02 WO disclosed