SCHEMBL4748969

SCHEMBL4748969

CC(C)(C)NC(=O)Nc1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.69
FYN P06241 1/20 0.62
SRC P12931 1/20 0.62
HSD17B10 Q99714 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
DYRK1A Q13627 1/20 0.54
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
MAP3K5 Q99683 1/20 0.52

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
SCHEMBL31087734 0.84 SMN1; SMN2 (0.54) LCKHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL6057496 0.83 NPC1 (0.73) LCKFYNSRCHSD17B10SMN1; SMN2
SCHEMBL6058154 0.82 DYRK1A (0.77) LCKHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL4746047 0.82 ABL1 (0.70) LCKHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL6057785 0.82 LCK (1.00) LCKFYNSRC
SCHEMBL6057851 0.82 LCK (1.00) LCKFYNSRC
SCHEMBL558047 0.81 LCK (0.69) LCKHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL2733651 0.81 RAB9A (0.70) HSD17B10SMN1; SMN2NPC1RAB9ADYRK1A
SCHEMBL6058264 0.81 LCK (0.89) LCKFYNSRC
SCHEMBL6057822 0.80 LCK (0.85) LCKFYNSRC

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
WO-2008124393-A1 BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-16 WO disclosed
EP-1037632-B1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 EP disclosed
US-6825355-B2 FOR THERAPY OF IMMUNOLOGIC DISORDERS SUCH AS TRANSPLANT REJECTION, RHEUMATOID ARTHRITIS. MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE, LUPUS, GRAFT VS. HOST DISEASE BRISTOL-MYERS SQUIBB CO. 2004-11-30 US disclosed