SCHEMBL17023072

SCHEMBL17023072

CN1CCN(c2ccc(NC(=O)Oc3ccc(-c4cccc5ccccc45)c4nccnc34)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MITF O75030 1/20 0.48
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSP90AA1 P07900 1/20 0.45
KDR P35968 2/20 0.44
LCK P06239 1/20 0.44
HCK P08631 1/20 0.44
SRC P12931 1/20 0.44
ALK Q9UM73 1/20 0.44
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL17023125 0.89 L3MBTL1 (0.47) GAANPSR1RAB9AMAPTTSHR
SCHEMBL1127005 0.85 MITF (0.55) GAANPSR1MITFNPC1RAB9A
SCHEMBL17023180 0.81 NPC1 (0.49) GAANPSR1MITFNPC1RAB9A
SCHEMBL17023034 0.80 FGFR3 (0.49) GAANPSR1RAB9AHSP90AA1
SCHEMBL17023065 0.78 FGFR3 (0.48) TSHRKDM4E
SCHEMBL17023017 0.78 FGFR3 (0.65)
SCHEMBL17023154 0.78 FGFR3 (0.65) GAANPSR1NPC1RAB9AMAPT
SCHEMBL17023029 0.74 FGFR3 (0.50) NPC1RAB9AMAPTKMT2ATSHR
SCHEMBL17023016 0.74 FGFR3 (0.49) GAANPSR1NPC1RAB9AMAPT
SCHEMBL17023142 0.74 FGFR3 (0.52) NPSR1NPC1RAB9AMAPTKMT2A

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