SCHEMBL18004149

SCHEMBL18004149

COc1cc(OC)c(F)c(NCc2cnc(C)cc2Cl)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.42
SLC6A2 P23975 10/20 0.42
SLC6A3 Q01959 6/20 0.40
DHFR P00374 2/20 0.36
PDE5A O76074 2/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL16176863 0.88 PDE5A (0.36) SLC6A4DHFRPDE5AMAPTMEN1
SCHEMBL29940550 0.88 PDE5A (0.36) SLC6A4DHFRPDE5AMAPTMEN1
SCHEMBL18004160 0.83 PDE5A (0.42) PDE5A
SCHEMBL18004368 0.83 PDE5A (0.34) DHFRPDE5AMAPTMEN1KMT2A
SCHEMBL30500634 0.81 DHFR (0.35) SLC6A4SLC6A2DHFRPDE5AMAPT
SCHEMBL16176916 0.81 DHFR (0.35) SLC6A4SLC6A2DHFRPDE5AMAPT
SCHEMBL16071766 0.79 ALDH1A1 (0.39) SLC6A4SLC6A2DHFRPDE5AMAPT
SCHEMBL30262072 0.79 ALDH1A1 (0.39) SLC6A4SLC6A2DHFRPDE5AMAPT
SCHEMBL18000650 0.79 FGFR4 (0.47)
SCHEMBL30485513 0.79 FGFR4 (0.47)

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-3259270-A1 BICYCLIC HETEROCYCLES AS FGFR4 INHIBITORS Incyte Corporation (US) 2017-12-27 EP disclosed
WO-2016134314-A1 BICYCLIC HETEROCYCLES AS FGFR4 INHIBITORS INCYTE CORPORATION (US) 2016-08-25 WO disclosed