SCHEMBL20157092

SCHEMBL20157092

c1ccc(-c2nc3cnccn3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.47
PDE10A Q9Y233 3/20 0.47
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AHR P35869 1/20 0.41
EGFR P00533 1/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
CYP11B2 P19099 1/20 0.41
DHODH Q02127 1/20 0.40
PARP1 P09874 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL23458573 0.88 DYRK1A (0.45) ADORA3PDE10ALMNAMEN1KMT2A
SCHEMBL7154783 0.83 AHR (0.43) ADORA3PDE10AAHRADORA1CYP11B2
SCHEMBL19549714 0.81 PDCD1 (0.46) ADORA3PDE10ALMNANR1H2NR1H3
SCHEMBL15170804 0.78 CYP11B2 (0.53) ADORA3PDE10ANR1H2NR1H3NPC1
SCHEMBL18501188 0.77 CYP11B2 (0.52) LMNAKMT2ATDP1NPC1RAB9A
SCHEMBL30601183 0.77 CYP11B2 (0.51) ADORA3PDE10ANR1H2NR1H3NPC1
SCHEMBL23486268 0.76 MAPT (0.34) PDE10AMEN1KMT2AAHRDHODH
Hydrochloric Acid SCHEMBL23458449 0.75 NAMPT (0.33) PDE10ALMNAKMT2ANPSR1AHR
SCHEMBL18764057 0.74 TGFBR1 (0.49) CYP11B2PARP1CYP11B1
SCHEMBL7708883 0.74 PDE10A (0.56) PDE10ALMNAMEN1USP2KMT2A

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed