SCHEMBL3650935

SCHEMBL3650935

Cc1cc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)ccc1CN1CCC(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ BTK Q06187 2/20 0.40
▸ CD274 Q9NZQ7 2/20 0.40
▸ PDCD1 Q15116 1/20 0.40
▸ S1PR1 P21453 2/20 0.39
▸ S1PR5 Q9H228 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ MKNK2 Q9HBH9 3/20 0.39
▸ MKNK1 Q9BUB5 2/20 0.39
▸ PTK2 Q05397 1/20 0.38
▸ GPR6 P46095 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDGFRA P16234 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 0.91 EGFR (0.40) ACHEEGFRBTKCD274PDCD1
SCHEMBL3650207 0.91 GPR6 (0.41) ACHEEGFRBTKS1PR1S1PR5
SCHEMBL3654033 0.87 EGFR (0.39) EGFRBTKS1PR1SYKABL1
SCHEMBL3651887 0.86 PTK2 (0.47) S1PR5SYKPTK2POLBCHRM4
SCHEMBL3651441 0.85 EGFR (0.46) ACHEEGFRBTKCHRM4
SCHEMBL12442985 0.84 L3MBTL1 (0.42) EGFRBTKS1PR5PTK2POLB
SCHEMBL27807596 0.84 GRM5 (0.39) EGFRBTKS1PR5SYKPTK2
SCHEMBL3652219 0.83 EGFR (0.39) EGFRBTKS1PR1SYKPOLB
SCHEMBL12846723 0.82 MELK (0.40) EGFRBTKS1PR1SYK
SCHEMBL3644492 0.82 LTA4H (0.49) EGFRS1PR5SYKPTK2

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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