SCHEMBL253123

SCHEMBL253123

NC(=O)c1cc2cccnc2nc1Cc1ccc(OC2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.42
SCD O00767 7/20 0.40
GPR52 Q9Y2T5 1/20 0.38
ROCK2 O75116 2/20 0.37
CXCR3 P49682 1/20 0.36
PDE4D Q08499 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
NTRK1 P04629 1/20 0.35
KCNH2 Q12809 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL253733 0.80 SYK (0.45) SYKSCDCXCR3
SCHEMBL253233 0.79 SYK (0.40) SYKGPR52
SCHEMBL13186819 0.79 SYK (0.43) SYKSCDCXCR3PDE4D
SCHEMBL255347 0.78 SYK (0.38) SYKROCK2IRAK4KCNH2
SCHEMBL253124 0.76 STAMBP (0.44) SYKSCDROCK2PDE4D
SCHEMBL248207 0.73 CSF1R (0.43) GPR52NTRK1KCNH2NTRK3
SCHEMBL253705 0.73 AURKA (0.47) GPR52
SCHEMBL252286 0.73 PARP1 (0.41)
SCHEMBL250721 0.70 SYK (0.65) SYKSCDPDE4D
SCHEMBL619849 0.68 SYK (0.59) SYKSCDPDE4D

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

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