SCHEMBL6068089

SCHEMBL6068089

CCNC(=O)Nc1nc2ccc(CNS(=O)(=O)C(F)(F)F)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.57
ABL1 P00519 11/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
ACP1 P24666 1/20 0.47
GSK3B P49841 2/20 0.47
DYRK1A Q13627 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
SCHEMBL6068241 0.84 ABL1 (0.64) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL6067860 0.79 ABL1 (0.65) PIK3CDABL1NPC1RAB9ASMN1; SMN2
SCHEMBL6068149 0.78 ABL1 (0.60) PIK3CDABL1NPC1RAB9ASMN1; SMN2
SCHEMBL14189671 0.78 ABL1 (0.70) PIK3CDABL1NPC1RAB9ASMN1; SMN2
SCHEMBL6068165 0.77 ABL1 (0.63) PIK3CDABL1NPC1RAB9ASMN1; SMN2
SCHEMBL6068323 0.76 ABL1 (0.71) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL6067835 0.76 ABL1 (0.71) PIK3CDABL1NPC1RAB9ASMN1; SMN2
SCHEMBL6067997 0.75 DYRK1A (0.71) PIK3CDABL1NPC1RAB9ASMN1; SMN2
SCHEMBL6068168 0.74 ABL1 (0.71) PIK3CDABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1303393 0.74 RAB9A (0.69) PIK3CDABL1NPC1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091227-B2 Benzothiazole derivatives ABBOTT GMBH & CO. KG (DE) 2006-08-15 US disclosed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 WO disclosed