SCHEMBL10285379

SCHEMBL10285379

CC(F)Cn1nc(-c2ccc(Oc3nc4cccnc4n3CF)cc2)c2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 4/20 0.32
ENPP2 Q13822 5/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 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
SCHEMBL570861 0.85 KDM4E (0.36) PDE10AMAOBMAPTLMNAENPP2
SCHEMBL15065321 0.85 MAPK14 (0.41) MAPTLMNATP53
SCHEMBL15085771 0.84 TNIK (0.33) PDE10AMAOBMAPTLMNAENPP2
SCHEMBL569350 0.83 HDAC1 (0.37) PDE10AMAOBLMNA
SCHEMBL15064441 0.82 PDE1A (0.36) PDE10AMAOBMAPTLMNAENPP2
SCHEMBL570302 0.79 ALDH1A1 (0.40) MAPTLMNATP53
SCHEMBL569886 0.77 EGFR (0.35) PDE10AMAPTLMNATP53
SCHEMBL10285695 0.77 MEN1 (0.40) PDE10AMAOBMAPTLMNA
SCHEMBL15065151 0.76 CYP1A2 (0.39) LMNATP53
SCHEMBL15068355 0.76 ALDH1A1 (0.41) LMNATP53

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
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 WO disclosed