SCHEMBL3652219

SCHEMBL3652219

O=C(O)C1CCN(CCc2cc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)ccc2O)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.39
▸ BTK Q06187 2/20 0.39
▸ CNR2 P34972 3/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ RAB9A P51151 1/20 0.35
▸ LTA4H P09960 3/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ MELK Q14680 1/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ GRM5 P41594 1/20 0.34

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
SCHEMBL3654033 0.91 EGFR (0.39) EGFRBTKCNR2DYRK1ALTA4H
SCHEMBL12846723 0.88 MELK (0.40) EGFRBTKCNR2DYRK1ALTA4H
SCHEMBL3647442 0.87 LTA4H (0.42) EGFRBTKCNR2DYRK1ALTA4H
SCHEMBL3652561 0.87 EGFR (0.40) EGFRBTKCNR2RAB9AABL1
SCHEMBL3647130 0.86 EGFR (0.45) EGFRBTKLTA4HABL1MELK
SCHEMBL12443126 0.86 EGFR (0.39) EGFRBTKCNR2DYRK1ALTA4H
SCHEMBL3644492 0.85 LTA4H (0.49) EGFRLTA4HJAK2SYKHRH3
SCHEMBL12846767 0.84 EGFR (0.43) EGFRBTKCNR2DYRK1ALTA4H
SCHEMBL3650207 0.83 GPR6 (0.41) EGFRBTKS1PR1JAK2POLB
SCHEMBL3652871 0.83 LTA4H (0.40) EGFRBTKCNR2DYRK1ALTA4H

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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