SCHEMBL3653301

SCHEMBL3653301

O=C(O)C1CCN(Cc2ccc(Nc3ncc(-c4ccc(OC(F)(F)F)cc4)cn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.52
▸ CHRM2 P08172 4/20 0.50
▸ CHRM1 P11229 2/20 0.50
▸ CHRM4 P08173 4/20 0.47
▸ S1PR5 Q9H228 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ ENPP2 Q13822 1/20 0.45
▸ PRKAB2 O43741 1/20 0.45
▸ PRKAG1 P54619 1/20 0.45
▸ PRKAA2 P54646 1/20 0.45
▸ PRKAA1 Q13131 1/20 0.45
▸ PRKAG3 Q9UGI9 1/20 0.45
▸ PRKAG2 Q9UGJ0 1/20 0.45
▸ PRKAB1 Q9Y478 1/20 0.45
▸ TEAD1 P28347 2/20 0.44

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
SCHEMBL3651887 0.87 PTK2 (0.47) CHRM4S1PR5PTK2HRH3PRKAA2
SCHEMBL1735223 0.82 S1PR5 (0.52) ACHES1PR5PTK2HRH3
SCHEMBL1735209 0.79 NPC1 (0.49) ACHEPTK2HRH3PRKAB2PRKAG1
SCHEMBL3647638 0.79 PTK2 (0.53) CHRM4S1PR5PTK2HRH3
SCHEMBL1735359 0.79 OPRM1 (0.46) HRH3
SCHEMBL3647442 0.78 LTA4H (0.42) CHRM4S1PR5PTK2HRH3
Hydrochloric Acid SCHEMBL1734487 0.78 OPRM1 (0.45) HRH3
SCHEMBL1735211 0.77 KDM4E (0.58) S1PR5
SCHEMBL3651441 0.77 EGFR (0.46) ACHECHRM4PRKAA2PRKAA1
SCHEMBL13605415 0.77 KDM4E (0.50) ACHES1PR5PTK2HRH3PRKAA2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN claimed
EP-2190825-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 — — EP claimed
WO-2009026276-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — WO claimed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN disclosed
EP-2190825-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 — — EP disclosed
WO-2009026276-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — WO disclosed
WO-2009026276-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — WO disclosed
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