SCHEMBL6859474

SCHEMBL6859474

Clc1nc(SCc2ccccc2)nc2nc(NCC3CCCO3)sc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 7/20 0.42
KCNH3 Q9ULD8 1/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 1/20 0.41
CXCR2 P25025 1/20 0.40
JAK2 O60674 1/20 0.40
ZAP70 P43403 1/20 0.40
SYK P43405 1/20 0.40
HTT P42858 2/20 0.40
ATM Q13315 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
SCHEMBL6866077 0.82 CXCR2 (0.51) PAK4SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6865997 0.82 CXCR2 (0.61) ALDH1A1LMNAMAPTCXCR2
SCHEMBL6995887 0.81 NPC1 (0.43) PAK4SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6864151 0.80 CX3CR1 (0.51) PAK4SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6865674 0.80 CXCR2 (0.62) CXCR2
SCHEMBL6868059 0.79 CX3CR1 (0.63) CXCR2
SCHEMBL6859495 0.78 PAK4 (0.63) PAK4SMN1; SMN2ALDH1A1LMNACXCR2
SCHEMBL6864817 0.76 PAK4 (0.63) PAK4ALDH1A1LMNAMAPTCXCR2
SCHEMBL6865600 0.76 PAK4 (0.69) PAK4ALDH1A1CXCR2HTT
SCHEMBL6864976 0.75 PAK4 (0.62) PAK4ALDH1A1LMNAMAPTCXCR2

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