SCHEMBL3650207

SCHEMBL3650207

O=C(O)C1CCN(Cc2ccc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ EGFR P00533 3/20 0.40
▸ BTK Q06187 2/20 0.40
▸ CDK4 P11802 3/20 0.39
▸ CDK6 Q00534 3/20 0.39
▸ CSF1R P07333 2/20 0.39
▸ ERBB2 P04626 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PTK2 Q05397 1/20 0.37

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
SCHEMBL3652561 0.93 EGFR (0.40) GPR6ALDH1A1TDP1EGFRBTK
SCHEMBL3650935 0.91 ACHE (0.40) GPR6ALDH1A1TDP1EGFRBTK
SCHEMBL3651887 0.87 PTK2 (0.47) JAK2CHRM4KMT2AS1PR5PTK2
SCHEMBL3651441 0.85 EGFR (0.46) EGFRBTKJAK2CHRM4KMT2A
SCHEMBL12442985 0.85 L3MBTL1 (0.42) EGFRBTKCHRM4S1PR5PTK2
SCHEMBL3652871 0.84 LTA4H (0.40) EGFRBTKCSF1RJAK2
SCHEMBL3650367 0.84 EGFR (0.39) EGFRBTKPTK2
SCHEMBL3652219 0.83 EGFR (0.39) EGFRBTKJAK2S1PR1POLB
SCHEMBL3654033 0.83 EGFR (0.39) EGFRBTKS1PR1
SCHEMBL3644492 0.82 LTA4H (0.49) EGFRJAK2BRD4S1PR5PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN claimed
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
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN 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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