SCHEMBL3644483

SCHEMBL3644483

CCOC(=O)C1CCN(CCc2cc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)ccc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TP53 P04637 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 3/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL3654033 0.91 EGFR (0.39) LTA4H
SCHEMBL13472151 0.90 LMNA (0.52) LMNASMN1; SMN2TP53KMT2AMEN1
SCHEMBL13472161 0.89 LTA4H (0.45) LMNASMN1; SMN2KMT2AALDH1A1POLB
SCHEMBL3646352 0.88 LTA4H (0.45) KMT2AALDH1A1KCNH2LTA4HKDM4E
SCHEMBL3650235 0.85 LTA4H (0.49) KMT2AALDH1A1KCNH2LTA4HKDM4E
SCHEMBL3652219 0.83 EGFR (0.39) POLBLTA4HHRH3
SCHEMBL12846723 0.82 MELK (0.40) LTA4H
SCHEMBL3647473 0.80 EGFR (0.44) LTA4H
SCHEMBL13472147 0.79 SYK (0.40) LMNAKMT2AKCNH2
SCHEMBL3650935 0.79 ACHE (0.40) SMN1; SMN2ALDH1A1TDP1POLBKDM4E

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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