SCHEMBL3646352

SCHEMBL3646352

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ EGFR P00533 3/20 0.42
▸ BTK Q06187 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CCR8 P51685 1/20 0.42
▸ MELK Q14680 1/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ PTK2 Q05397 1/20 0.40

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 0.93 EGFR (0.44) LTA4HEGFRBTKMELK
SCHEMBL13472161 0.91 LTA4H (0.45) LTA4HALDH1A1KMT2AMAPTEGFR
SCHEMBL3647130 0.90 EGFR (0.45) LTA4HKMT2AEGFRBTKMELK
SCHEMBL13472144 0.90 ALDH1A1 (0.50) LTA4HALDH1A1KMT2AL3MBTL1HSD17B10
SCHEMBL3650235 0.89 LTA4H (0.49) LTA4HALDH1A1KMT2AL3MBTL1HSD17B10
SCHEMBL3644483 0.88 LMNA (0.45) LTA4HALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL3651384 0.87 EGFR (0.42) LTA4HALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL3647131 0.82 EGFR (0.41) ALDH1A1EGFRBTK
SCHEMBL3651441 0.81 EGFR (0.46) KMT2AEGFRBTKMELK
SCHEMBL12846767 0.80 EGFR (0.43) LTA4HEGFRBTKMELKHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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