SCHEMBL17023144

SCHEMBL17023144

CN1CCN(Cc2c[nH]c(NC(=O)Oc3ccc(-c4csc5ccccc45)c4nccnc34)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 10/20 0.58
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
PTGER2 P43116 1/20 0.35
CYP3A4 P08684 2/20 0.34
ROCK1 Q13464 2/20 0.34
CIT O14578 1/20 0.34
JAK2 O60674 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL12678296 0.88 FGFR3 (0.74) FGFR3MAPTKMT2AALDH1A1MAPK1
SCHEMBL17023065 0.87 FGFR3 (0.48) FGFR3KDM4ELMNAHTTFAAH
SCHEMBL17023025 0.85 FGFR3 (0.59) FGFR3KDM4ELMNAHTT
SCHEMBL17023121 0.85 FGFR3 (0.40) FGFR3MAPTKMT2AALDH1A1MAPK1
SCHEMBL17023052 0.83 FGFR3 (0.57) FGFR3PTGER2
SCHEMBL17023046 0.82 FGFR3 (0.42) FGFR3
SCHEMBL17023076 0.79 FGFR3 (0.56) FGFR3
SCHEMBL17023024 0.78 FGFR3 (0.59) FGFR3
SCHEMBL17023018 0.77 FGFR3 (0.45) FGFR3MAPTKMT2AALDH1A1KDM4E
SCHEMBL17023016 0.76 FGFR3 (0.49) FGFR3MAPTKMT2AALDH1A1MAPK1

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