SCHEMBL4555402

SCHEMBL4555402

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(N)c1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
ALDH1A1 P00352 1/20 0.62
PTGS1 P23219 3/20 0.61
LMNA P02545 1/20 0.56
CSF1R P07333 3/20 0.56
KIT P10721 1/20 0.56
BRAF P15056 4/20 0.54
KCNK3 O14649 2/20 0.54
MEN1 O00255 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
RXFP1 Q9HBX9 2/20 0.52
KCNK9 Q9NPC2 1/20 0.51
NPC1 O15118 1/20 0.51
ADCY1 Q08828 1/20 0.51
LCK P06239 1/20 0.51
KDR P35968 1/20 0.51
BTK Q06187 1/20 0.51
MAPK14 Q16539 1/20 0.51

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
SCHEMBL20558345 0.83 GAA (0.67) GAAALDH1A1PTGS1LMNACSF1R
SCHEMBL4993846 0.81 ALDH1A1 (0.67) GAAALDH1A1PTGS1LMNACSF1R
SCHEMBL21870341 0.79 GAA (1.00) GAAALDH1A1PTGS1LMNACSF1R
SCHEMBL27530863 0.78 GAA (0.65) GAAALDH1A1PTGS1LMNACSF1R
SCHEMBL4997367 0.77 PTGS1 (0.61) GAAPTGS1KITMEN1RAB9A
SCHEMBL19233515 0.77 PTGS1 (0.68) GAAALDH1A1PTGS1LMNACSF1R
Hydrochloric Acid SCHEMBL5004557 0.76 PTGS1 (0.68) GAAPTGS1LMNACSF1RKIT
SCHEMBL1273833 0.76 GAA (0.70) GAAALDH1A1LMNACSF1RKIT
SCHEMBL4749894 0.75 PTGS1 (0.65) GAAALDH1A1PTGS1LMNACSF1R
SCHEMBL27720492 0.75 CSF1R (0.55) GAAPTGS1CSF1RKITBRAF

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-2121692-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2009-11-25 EP disclosed
WO-2008079965-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-03 WO disclosed