SCHEMBL6864634

SCHEMBL6864634

CNc1nc2nc(SCc3ccccc3)nc(NC(C)CO)c2s1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.77
CX3CR1 P49238 9/20 0.77
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL842707 0.88 CXCR2 (0.79) CXCR2CX3CR1MEN1ALDH1A1LMNA
SCHEMBL842708 0.88 CXCR2 (0.79) CXCR2CX3CR1MEN1ALDH1A1LMNA
SCHEMBL6869080 0.88 CX3CR1 (0.79) CXCR2CX3CR1
SCHEMBL6869005 0.88 CXCR2 (0.72) CXCR2CX3CR1
SCHEMBL7003743 0.87 CXCR2 (0.60) CXCR2CX3CR1
SCHEMBL842445 0.87 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL842444 0.87 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL6859484 0.87 CXCR2 (0.72) CXCR2CX3CR1MEN1ALDH1A1LMNA
SCHEMBL6865679 0.87 CXCR2 (0.65) CXCR2CX3CR1
SCHEMBL842572 0.85 CXCR2 (0.74) CXCR2CX3CR1MEN1ALDH1A1LMNA

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