SCHEMBL6866495

SCHEMBL6866495

Clc1nc(SCc2ccccc2)nc2nc(NCCOc3ccccc3)sc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 5/20 0.58
CXCR2 P25025 8/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CX3CR1 P49238 6/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE4A P27815 1/20 0.37

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
SCHEMBL6865140 0.85 PAK4 (0.56) PAK4CXCR2CX3CR1CYP1A2CYP2C9
SCHEMBL6864817 0.84 PAK4 (0.63) PAK4CXCR2CX3CR1CYP1A2CYP2C9
SCHEMBL6864976 0.84 PAK4 (0.62) PAK4CXCR2CX3CR1CYP1A2CYP2C9
SCHEMBL6868070 0.80 CXCR2 (0.61) PAK4CXCR2CX3CR1CYP1A2CYP2C9
SCHEMBL6868639 0.80 CXCR2 (0.66) CXCR2CX3CR1
SCHEMBL6859465 0.80 PAK4 (0.47) PAK4CXCR2RAB9ACX3CR1PPARG
SCHEMBL6865600 0.79 PAK4 (0.69) PAK4CXCR2CX3CR1CYP1A2CYP2C9
SCHEMBL6859575 0.79 PAK4 (0.56) PAK4CXCR2CX3CR1
SCHEMBL6869158 0.79 PAK4 (0.56) PAK4CXCR2CX3CR1CYP1A2CYP2C9
SCHEMBL6865151 0.79 PAK4 (0.53) PAK4CXCR2CX3CR1CYP1A2CYP2C9

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 disclosed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
EP-1104425-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-06 EP disclosed
WO-2000009511-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-02-24 WO disclosed