SCHEMBL3647130

SCHEMBL3647130

O=C(O)C1CCN(CCc2cccc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.45
▸ BTK Q06187 2/20 0.45
▸ MELK Q14680 11/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ GFRA3 O60609 1/20 0.40
▸ RET P07949 1/20 0.40
▸ CHRM4 P08173 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ IDH2 P48735 1/20 0.38

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
SCHEMBL3647473 0.92 EGFR (0.44) EGFRBTKMELKLTA4HABL1
SCHEMBL3651441 0.92 EGFR (0.46) EGFRBTKMELKGFRA3RET
SCHEMBL12846767 0.90 EGFR (0.43) EGFRBTKMELKLTA4HCHRM4
SCHEMBL3647442 0.90 LTA4H (0.42) EGFRBTKLTA4HCHRM4
SCHEMBL3646352 0.90 LTA4H (0.45) EGFRBTKMELKLTA4HKMT2A
SCHEMBL3646162 0.88 EGFR (0.50) EGFRBTKLTA4HHTR1ADRD2
SCHEMBL3652226 0.86 EGFR (0.46) EGFRBTKABL1GFRA3RET
SCHEMBL3652219 0.86 EGFR (0.39) EGFRBTKMELKLTA4HABL1
SCHEMBL3647478 0.85 EGFR (0.44) EGFRBTKMELKABL1GFRA3
SCHEMBL3654033 0.85 EGFR (0.39) EGFRBTKMELKLTA4HABL1

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 8 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
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
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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