SCHEMBL6869158

SCHEMBL6869158

Clc1nc(SCc2ccccc2)nc2nc(NCCc3cccs3)sc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 6/20 0.56
CXCR2 P25025 7/20 0.42
ADORA2A P29274 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CX3CR1 P49238 8/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36

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
SCHEMBL6864817 0.83 PAK4 (0.63) PAK4CXCR2MAPTCX3CR1MEN1
SCHEMBL6864976 0.82 PAK4 (0.62) PAK4CXCR2MAPTCX3CR1MEN1
SCHEMBL6859479 0.81 PAK4 (0.48) PAK4CXCR2CX3CR1
SCHEMBL6865941 0.81 CXCR2 (0.53) PAK4CXCR2CX3CR1
SCHEMBL6866136 0.81 CXCR2 (0.64) PAK4CXCR2CX3CR1
SCHEMBL6859575 0.80 PAK4 (0.56) PAK4CXCR2ADORA2ACX3CR1
SCHEMBL6866114 0.79 CXCR2 (0.65) CXCR2CX3CR1
SCHEMBL6865151 0.79 PAK4 (0.53) PAK4CXCR2CX3CR1MEN1ALDH1A1
SCHEMBL6866495 0.79 PAK4 (0.58) PAK4CXCR2MAPTCX3CR1MEN1
SCHEMBL6866367 0.79 CX3CR1 (0.67) CXCR2CX3CR1

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
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