SCHEMBL6864151

SCHEMBL6864151

O=C(O)[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(NCC3CCCO3)sc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 14/20 0.51
CXCR2 P25025 14/20 0.51
PAK4 O96013 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6865997 0.89 CXCR2 (0.61) CX3CR1CXCR2MEN1ALDH1A1LMNA
SCHEMBL6865674 0.87 CXCR2 (0.62) CX3CR1CXCR2
SCHEMBL6868059 0.86 CX3CR1 (0.63) CX3CR1CXCR2
SCHEMBL6866095 0.82 CXCR2 (0.58) CX3CR1CXCR2PAK4
SCHEMBL6866077 0.82 CXCR2 (0.51) CX3CR1CXCR2PAK4NPC1POLB
SCHEMBL6859474 0.80 PAK4 (0.53) CXCR2PAK4NPC1POLBRAB9A
SCHEMBL6865679 0.80 CXCR2 (0.65) CX3CR1CXCR2PAK4
SCHEMBL6995887 0.80 NPC1 (0.43) CX3CR1CXCR2PAK4NPC1POLB
SCHEMBL6866008 0.76 CXCR2 (0.70) CX3CR1CXCR2
SCHEMBL7826162 0.74 NPC1 (0.40) NPC1POLBRAB9ASMN1; SMN2ALDH1A1

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 6 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
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