SCHEMBL17023018

SCHEMBL17023018

O=C(Nc1ncc[nH]1)Oc1ccc(-c2csc3ccccc23)c2nccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 1/20 0.45
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 2/20 0.35
APP P05067 2/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
CDC7 O00311 1/20 0.32
HTR2C P28335 1/20 0.32
HDAC2 Q92769 2/20 0.31
NR3C1 P04150 1/20 0.31
CHEK1 O14757 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL1126631 0.84 FGFR3 (0.59) FGFR3RAB9AALDH1A1SMN1; SMN2APP
SCHEMBL17023143 0.82 HSP90AA1 (0.44) FGFR3ALDH1A1SMN1; SMN2HSP90AA1MAPT
SCHEMBL17023080 0.80 HSP90AA1 (0.38) FGFR3HSP90AA1MAPTKDM4EMEN1
SCHEMBL17023129 0.80 FGFR3 (0.46) FGFR3HSP90AA1MAPTKDM4EMEN1
SCHEMBL17023146 0.79 ADRA2A (0.34) FGFR3HSP90AA1CYP2C9NR3C1
SCHEMBL17023144 0.77 FGFR3 (0.58) FGFR3ALDH1A1MAPTKDM4EMEN1
SCHEMBL17023184 0.76 HSP90AA1 (0.38) FGFR3HSP90AA1MAPTKDM4EMEN1
SCHEMBL17023016 0.72 FGFR3 (0.49) FGFR3RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL3318023 0.71 FGFR3 (0.44) FGFR3RAB9AALDH1A1SMN1; SMN2APP
SCHEMBL17023037 0.71 HPGDS (0.44) FGFR3ALDH1A1SMN1; SMN2HSP90AA1MAPT

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-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed