SCHEMBL20113656

SCHEMBL20113656

CCCc1cnc(C=O)c(C2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LYN P07948 2/20 0.32
SRC P12931 1/20 0.32
BTK Q06187 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
TSHR P16473 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20113780 0.85 FGFR4 (0.32) HTR2AHTR2CHTR2B
SCHEMBL20113958 0.77 FFAR4 (0.33) NPC1RAB9AKDM4ETSHRTP53
SCHEMBL20113643 0.73 KDM4E (0.37) NPC1RAB9AKDM4ETSHRTP53
SCHEMBL20114332 0.71 NPC1 (0.31) NPC1RAB9ATSHRNPSR1TP53
SCHEMBL20113660 0.71 NPC1 (0.31) NPC1RAB9ATP53SMN1; SMN2
SCHEMBL20114328 0.70 SRC (0.38) NPC1RAB9AKDM4ESRCTSHR
SCHEMBL20113778 0.67 NR1I2 (0.32) NPSR1
SCHEMBL21503622 0.65 SMN1; SMN2 (0.43) NPC1RAB9AKDM4ETSHRTP53
SCHEMBL10299421 0.65 NFKB1 (0.38) NPC1RAB9AKDM4ETSHRTP53
SCHEMBL20613016 0.64 POLB (0.32) KDM4E

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-3060563-B1 RING-FUSED BICYCLIC PYRIDYL DERIVATIVES AS FGFR4 INHIBITORS NOVARTIS AG (CH) 2018-05-02 EP disclosed