SCHEMBL3652226

SCHEMBL3652226

O=C(O)C1CCN(C(O)Cc2cccc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.46
▸ BTK Q06187 4/20 0.46
▸ GFRA3 O60609 6/20 0.39
▸ RET P07949 3/20 0.39
▸ IDH2 P48735 1/20 0.37
▸ MET P08581 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ GFRA2 O00451 3/20 0.35
▸ GFRA1 P56159 3/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL3647478 0.91 EGFR (0.44) EGFRBTKGFRA3RETIDH2
SCHEMBL3646358 0.90 EGFR (0.43) EGFRBTKGFRA3RETIDH2
SCHEMBL3651441 0.87 EGFR (0.46) EGFRBTKGFRA3RETCHRM4
SCHEMBL3647130 0.86 EGFR (0.45) EGFRBTKGFRA3RETIDH2
SCHEMBL3644487 0.82 EGFR (0.43) EGFRBTKGFRA3RETIDH2
SCHEMBL3651384 0.82 EGFR (0.42) EGFRBTKKMT2A
SCHEMBL3646162 0.81 EGFR (0.50) EGFRBTK
SCHEMBL27785768 0.80 EGFR (0.47) EGFRBTKGFRA3RETIDH2
SCHEMBL3650240 0.79 EGFR (0.47) EGFRBTKGFRA3RETIDH2
SCHEMBL3651887 0.78 PTK2 (0.47) CHRM4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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