SCHEMBL6865043

SCHEMBL6865043

CCCCCSc1nc(=O)c2sc(NCCN(C)C)nc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.45
CXCR1 P25024 1/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
GPR84 Q9NQS5 9/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.40
XDH P47989 3/20 0.40
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6865517 0.95 CXCR2 (0.44) CXCR2CXCR1KDM4ETHRBGPR84
SCHEMBL6859483 0.90 CXCR2 (0.44) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6859654 0.87 CXCR2 (0.46) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6866466 0.86 CXCR2 (0.46) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6864165 0.85 CXCR2 (0.45) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6859473 0.83 CXCR2 (0.43) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6863816 0.81 CXCR2 (0.42) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6866416 0.80 CXCR2 (0.45) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6999971 0.80 CXCR2 (0.45) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6864235 0.80 CXCR2 (0.48) CXCR2CXCR1GPR84SMN1; SMN2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 US claimed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP claimed
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 US disclosed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed