SCHEMBL3644492

SCHEMBL3644492

O=C(O)C1CCN(CCOc2ccc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.49
▸ JAK2 O60674 3/20 0.46
▸ SYK P43405 1/20 0.46
▸ MCHR1 Q99705 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ JAK3 P52333 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ RET P07949 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41
▸ TUBA3C P0DPH7 2/20 0.41
▸ TUBA1B P68363 2/20 0.41
▸ TUBA4A P68366 2/20 0.41

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
SCHEMBL3646162 0.91 EGFR (0.50) LTA4HSYKEGFRDRD2
SCHEMBL3647442 0.90 LTA4H (0.42) LTA4HJAK2SYKHRH3PTK2
SCHEMBL3652871 0.89 LTA4H (0.40) LTA4HJAK2SYKMCHR1BRAF
SCHEMBL3651887 0.88 PTK2 (0.47) LTA4HJAK2SYKMCHR1HRH3
SCHEMBL1735235 0.88 LTA4H (0.52) LTA4HJAK2SYKMCHR1BRAF
SCHEMBL12443126 0.87 EGFR (0.39) LTA4HJAK2SYKHRH3TUBB4A
SCHEMBL27807596 0.86 GRM5 (0.39) SYKHDAC1HDAC6PTK2EGFR
SCHEMBL12442985 0.85 L3MBTL1 (0.42) LTA4HHRH3PTK2EGFRS1PR5
SCHEMBL3652219 0.85 EGFR (0.39) LTA4HJAK2SYKHRH3EGFR
SCHEMBL3654033 0.84 EGFR (0.39) LTA4HSYKEGFR

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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