SCHEMBL3647442

SCHEMBL3647442

O=C(O)C1CCN(CCc2ccc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ EGFR P00533 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ CDK1 P06493 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ SPHK2 Q9NRA0 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
SCHEMBL3651887 0.91 PTK2 (0.47) LTA4HHRH3PTK2JAK2SYK
SCHEMBL3644492 0.90 LTA4H (0.49) LTA4HHRH3PTK2EGFRJAK2
SCHEMBL12846767 0.90 EGFR (0.43) LTA4HHRH3EGFRBTKDYRK1A
SCHEMBL3647130 0.90 EGFR (0.45) LTA4HEGFRBTKCHRM4
SCHEMBL12443126 0.90 EGFR (0.39) LTA4HHRH3EGFRBTKGRM5
SCHEMBL13472161 0.89 LTA4H (0.45) LTA4HHRH3PTK2EGFRPOLB
SCHEMBL1735359 0.88 OPRM1 (0.46) LTA4HHRH3HTR2CHTR7
Hydrochloric Acid SCHEMBL1734487 0.87 OPRM1 (0.45) LTA4HHRH3HTR2CHTR7
SCHEMBL3652219 0.87 EGFR (0.39) LTA4HHRH3EGFRBTKGRM5
SCHEMBL3654033 0.87 EGFR (0.39) LTA4HEGFRBTKGRM5DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
Send feedback