SCHEMBL253233

SCHEMBL253233

NC(=O)c1cc2cccnc2nc1Cc1ccc(OCc2cccnc2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
CTSS P25774 1/20 0.40
LRRK2 Q5S007 3/20 0.40
SRPK3 Q9UPE1 1/20 0.39
KLK8 O60259 7/20 0.38
F2 P00734 7/20 0.38
F10 P00742 7/20 0.38
KLKB1 P03952 7/20 0.38
KLK14 Q9P0G3 7/20 0.38
KLK5 Q9Y337 7/20 0.38
ST14 Q9Y5Y6 7/20 0.38
PPARG P37231 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
ALOX5 P09917 1/20 0.38
PSEN1 P49768 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL619180 0.79 HCRTR1 (0.44) SYKLRRK2
SCHEMBL253123 0.79 SYK (0.42) SYKGPR52
SCHEMBL253705 0.77 AURKA (0.47) GPR52RPS6KB1
SCHEMBL253234 0.75 PSMD14 (0.50) LRRK2
SCHEMBL252708 0.75 MKNK1 (0.48) SYK
SCHEMBL252286 0.75 PARP1 (0.41) PPARGPPARARPS6KB1
SCHEMBL249951 0.74 CTSS (0.48) CTSSLRRK2SRPK3KLK8F2
SCHEMBL248207 0.74 CSF1R (0.43) GPR52RPS6KB1
SCHEMBL2146575 0.69 CTSS (0.49) CTSSLRRK2MRGPRX4
SCHEMBL253870 0.68 CYP11B1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP claimed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed