SCHEMBL6865162

SCHEMBL6865162

Clc1nc(SCc2ccccc2)nc2nc(NC3CCNCC3)sc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 8/20 0.57
CXCR2 P25025 7/20 0.43
CX3CR1 P49238 5/20 0.38
CCNT1 O60563 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
ACHE P22303 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
SCHEMBL6859495 0.92 PAK4 (0.63) PAK4CXCR2CX3CR1MEN1ALDH1A1
SCHEMBL6866794 0.80 CXCR2 (0.65) CXCR2CX3CR1MEN1ALDH1A1CYP1A2
SCHEMBL6865600 0.79 PAK4 (0.69) PAK4CXCR2CX3CR1MEN1ALDH1A1
SCHEMBL5232402 0.78 SMN1; SMN2 (0.48) PAK4CCNT1ALDH1A1HTTACHE
SCHEMBL5232021 0.78 CXCR2 (0.67) CXCR2CX3CR1
SCHEMBL5232013 0.78 CXCR2 (0.67) CXCR2CX3CR1
SCHEMBL6864817 0.75 PAK4 (0.63) PAK4CXCR2CX3CR1MEN1ALDH1A1
SCHEMBL5236487 0.75 PAK4 (0.74) PAK4CXCR2CX3CR1MEN1ALDH1A1
SCHEMBL6859474 0.74 PAK4 (0.53) PAK4CXCR2ALDH1A1HTT
SCHEMBL6864976 0.74 PAK4 (0.62) PAK4CXCR2CX3CR1MEN1ALDH1A1

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