SCHEMBL20530348

SCHEMBL20530348

O=C(NCC1CC1)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MET P08581 4/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP4K4 O95819 2/20 0.37
AR P10275 1/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 2/20 0.37

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
SCHEMBL20530369 0.90 MET (0.44) CNR1CNR2METTP53MAP4K4
SCHEMBL20530315 0.89 MET (0.40) METMEN1NPC1RAB9AKMT2A
SCHEMBL20530322 0.89 MET (0.43) CNR1CNR2METTP53MEN1
SCHEMBL20530319 0.89 MET (0.43) CNR1CNR2METTP53MEN1
SCHEMBL20530296 0.88 CNR1 (0.43) CNR1CNR2METTP53MEN1
SCHEMBL20530357 0.88 MEN1 (0.42) METMEN1NPC1RAB9AKMT2A
SCHEMBL20530306 0.88 MEN1 (0.38) METMEN1NPC1RAB9AKMT2A
SCHEMBL20530349 0.87 MET (0.48) METADORA2AADORA1
SCHEMBL1331163 0.87 MET (0.48) MET
SCHEMBL20530299 0.87 MET (0.44) METMEN1NPC1RAB9AKMT2A

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-2571878-B1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INCOZEN THERAPEUTICS PVT LTD (IN) 2018-10-17 EP claimed