SCHEMBL1487237

SCHEMBL1487237

COc1cc(NS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nc(SCc2cccc(F)c2F)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.50
CXCR1 P25024 1/20 0.50
GPR119 Q8TDV5 2/20 0.39
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
KAT7 O95251 1/20 0.35

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
SCHEMBL1487172 1.00 CXCR2 (0.50) CXCR2CXCR1GPR119MAPTSMN1; SMN2
SCHEMBL1644205 0.91 CXCR2 (0.53) CXCR2CXCR1
SCHEMBL1487391 0.91 CXCR2 (0.53) CXCR2CXCR1
SCHEMBL1487112 0.88 CXCR2 (0.59) CXCR2CXCR1GPR119MAPTSMN1; SMN2
SCHEMBL1646054 0.86 CXCR2 (0.62) CXCR2CXCR1GPR119MAPTSMN1; SMN2
SCHEMBL1487173 0.82 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL1487240 0.82 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL1486995 0.82 CXCR2 (0.58) CXCR2CXCR1GPR119MAPTSMN1; SMN2
SCHEMBL1487215 0.81 CXCR2 (0.57) CXCR2CXCR1MAPT
SCHEMBL9972769 0.81 CXCR2 (0.53) CXCR2CXCR1

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-2311827-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators. AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-2301933-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators AstraZeneca AB (SE) 2011-03-30 EP disclosed