SCHEMBL20530306

SCHEMBL20530306

O=C(NCC(F)(F)F)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
MET P08581 10/20 0.37
DGAT2 Q96PD7 1/20 0.37
PKM P14618 1/20 0.37
CDKL5 O76039 1/20 0.37
KCNH2 Q12809 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35

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
SCHEMBL20530315 0.91 MET (0.40) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL20530357 0.89 MEN1 (0.42) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL20530317 0.89 MET (0.40) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL20530349 0.89 MET (0.48) ADORA2AADORA1METPKMCDKL5
SCHEMBL20530365 0.88 ADORA2A (0.46) ADORA2AADORA1MET
SCHEMBL20530299 0.88 MET (0.44) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL20530327 0.88 MEN1 (0.38) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL20530350 0.88 MEN1 (0.41) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL20530343 0.88 BRAF (0.41) MEN1NPC1RAB9AKMT2AADORA2A
SCHEMBL20530348 0.88 CNR1 (0.40) MEN1NPC1RAB9AKMT2AADORA2A

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