SCHEMBL433440

SCHEMBL433440

CCOc1ccc(-n2c(CCN(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 20/20 0.71
CYP3A4 P08684 2/20 0.71

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
SCHEMBL7021043 0.94 CXCR3 (0.62) CXCR3CYP3A4
SCHEMBL16209820 0.94 CXCR3 (0.73) CXCR3CYP3A4
SCHEMBL18092522 0.89 CXCR3 (0.73) CXCR3CYP3A4
SCHEMBL3103736 0.83 CXCR3 (0.60) CXCR3CYP3A4
SCHEMBL433439 0.83 CXCR3 (1.00) CXCR3CYP3A4
SCHEMBL335753 0.83 CXCR3 (1.00) CXCR3CYP3A4
SCHEMBL29386766 0.83 CXCR3 (1.00) CXCR3CYP3A4
SCHEMBL12857733 0.78 CXCR3 (1.00) CXCR3CYP3A4
SCHEMBL5833103 0.78 CXCR3 (0.89) CXCR3CYP3A4
SCHEMBL27015148 0.78 CXCR3 (0.89) CXCR3CYP3A4

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755708-A2 INHALER Astrazeneca AB (SE) 2014-07-23 EP disclosed
EP-2755707-A1 INHALER Astrazeneca AB (SE) 2014-07-23 EP disclosed
EP-2595684-A1 INHALER AstraZeneca AB (SE) 2013-05-29 EP disclosed
EP-2595683-A2 INHALER AstraZeneca AB (SE) 2013-05-29 EP disclosed
WO-2013038169-A1 INHALER ASTRAZENECA AB (SE) 2013-03-21 WO disclosed
WO-2013038170-A2 INHALER ASTRAZENECA AB (SE) 2013-03-21 WO disclosed
EP-2534054-A1 PROCESS FOR PROVIDING A FILLED CANISTER FOR AN INHALER AstraZeneca UK Limited (GB) 2012-12-19 EP disclosed
WO-2012085582-A1 COMPOUND ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012085583-A1 NEW COMPOUND ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
EP-2448623-A1 DISPENSER AND METHOD FOR ENTRAINING POWDER IN AN AIRFLOW AstraZeneca AB (SE) 2012-05-09 EP disclosed
WO-2010042036-A1 INHALER WITH AUDIBLE INDICATOR MEANS ASTRAZENECA AB (SE) 2010-04-15 WO disclosed
WO-2010042035-A1 INHALER WITH INDEXING LINKED TO MOVEMENT OF COVER ASTRAZENECA AB (SE) 2010-04-15 WO disclosed
WO-2010042034-A1 A BREATH ACTIVATED INHALER ASTRAZENECA AB (SE) 2010-04-15 WO disclosed
WO-2010004319-A1 COMBINATION COMPRISING 6-FLU0R0-N- ((1S, 4S) - 4- (6-FLUORO-2, 4-DI0X0-1- (4'- (PIPERAZIN-1- YLMETHYL) BIPHENYL- 3-YL) -1, 2-DIHYDROPYRIDO [2, 3-D] PYRIMIDIN-3 (4H) - YL) CYCLOHEXYL) IMIDAZO [1,2-A] PYRIDINE -2- CARBOXAMIDE OR A SALT ASTRAZENECA AB (SE) 2010-01-14 WO disclosed
WO-2009154562-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
EP-2117542-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE AstraZeneca AB (SE) 2009-11-18 EP disclosed
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
WO-2008104776-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008096111-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed
WO-2008096121-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed