SCHEMBL18953418

SCHEMBL18953418

COc1cc(Cl)cc2c1NC(Nc1cccc(C#N)c1)=NS2(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.53
NT5E P21589 3/20 0.48
STK10 O94804 6/20 0.46
SLK Q9H2G2 6/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CXCR1 P25024 3/20 0.43

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
SCHEMBL18953417 0.88 SLK (0.44) CXCR2STK10SLKCLK2GSK3A
SCHEMBL18953476 0.82 CXCR2 (0.56) CXCR2NT5ECXCR1
SCHEMBL4648630 0.77 CXCR2 (0.71) CXCR2NT5ECXCR1
SCHEMBL18953660 0.77 NT5E (0.58) CXCR2NT5ECXCR1
SCHEMBL18953503 0.74 CXCR2 (0.48) CXCR2NT5ECXCR1
SCHEMBL18953327 0.73 CXCR2 (0.67) CXCR2NT5ECXCR1
SCHEMBL18953369 0.73 CXCR2 (0.76) CXCR2NT5ECXCR1
SCHEMBL18953475 0.72 CXCR2 (0.44) CXCR2NT5E
SCHEMBL18953437 0.69 CXCR2 (0.72) CXCR2NT5ECXCR1
SCHEMBL18953528 0.67 CXCR2 (0.44) CXCR2NT5ESTK10SLKCXCR1

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-2017098421-A1 BENZOTHIADIAZINE COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-15 WO disclosed