SCHEMBL3647638

SCHEMBL3647638

O=C(O)C1CCN(Cc2ccc(Nc3ncc(Br)cn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.53
▸ CHRM4 P08173 1/20 0.48
▸ SYK P43405 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ S1PR5 Q9H228 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ CCR5 P51681 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ F10 P00742 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL3646533 0.89 HTR2A (0.44) PTK2SYKCCR5HRH3KDM4E
SCHEMBL13472135 0.82 LTA4H (0.56) SYKJAK2S1PR5EGFRHRH3
SCHEMBL3647350 0.81 PTK2 (0.46) PTK2SYKJAK2
SCHEMBL3647440 0.80 PTK2 (0.42) PTK2SYKJAK2S1PR5EGFR
SCHEMBL24770743 0.79 ALDH1A1 (0.65) S1PR5CCR5HRH3KDM4EALDH1A1
SCHEMBL3653301 0.79 ACHE (0.52) PTK2CHRM4S1PR5HRH3
SCHEMBL3651887 0.79 PTK2 (0.47) PTK2CHRM4SYKJAK2S1PR5
Hydrochloric Acid SCHEMBL5240993 0.79 L3MBTL1 (0.54) SYKJAK2S1PR5L3MBTL1MEN1
SCHEMBL3647343 0.77 THRA (0.47) PTK2EGFRKDM4EALDH1A1
SCHEMBL1735223 0.75 S1PR5 (0.52) PTK2S1PR5HRH3KDM4ESIGMAR1

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 6 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
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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