SCHEMBL3654033

SCHEMBL3654033

Cc1ccc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)cc1CCN1CCC(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.39
▸ BTK Q06187 2/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ S1PR1 P21453 6/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ MELK Q14680 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ PTGER4 P35408 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ LTA4H P09960 1/20 0.35

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
SCHEMBL3644483 0.91 LMNA (0.45) LTA4H
SCHEMBL3652219 0.91 EGFR (0.39) EGFRBTKCNR2S1PR1DYRK1A
SCHEMBL12846723 0.90 MELK (0.40) EGFRBTKCNR2S1PR1DYRK1A
SCHEMBL13472147 0.88 SYK (0.40) BTKS1PR1ABL1SYK
SCHEMBL3650935 0.87 ACHE (0.40) EGFRBTKS1PR1ABL1SYK
SCHEMBL3647442 0.87 LTA4H (0.42) EGFRBTKCNR2DYRK1AGRM5
SCHEMBL3647130 0.85 EGFR (0.45) EGFRBTKMELKABL1LTA4H
SCHEMBL12443126 0.85 EGFR (0.39) EGFRBTKCNR2DYRK1AGRM5
SCHEMBL3644492 0.84 LTA4H (0.49) EGFRSYKLTA4H
SCHEMBL12443595 0.84 CNR2 (0.39) EGFRBTKCNR2S1PR1DYRK1A

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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