SCHEMBL20530299

SCHEMBL20530299

CC(C)CNC(=O)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.44
CDKL5 O76039 1/20 0.38
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 3/20 0.37
ADORA1 P30542 3/20 0.37
KCNH2 Q12809 2/20 0.37
PKM P14618 1/20 0.36
PDE4A P27815 1/20 0.36

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) METCDKL5MEN1NPC1RAB9A
SCHEMBL20530361 0.91 MET (0.40) METCDKL5KCNH2PKM
SCHEMBL20530357 0.90 MEN1 (0.42) METCDKL5MEN1NPC1RAB9A
SCHEMBL20530349 0.90 MET (0.48) METCDKL5ADORA2AADORA1KCNH2
SCHEMBL20530325 0.89 MEN1 (0.41) METCDKL5MEN1NPC1RAB9A
SCHEMBL20530343 0.89 BRAF (0.41) METCDKL5MEN1NPC1RAB9A
SCHEMBL20530306 0.88 MEN1 (0.38) METCDKL5MEN1NPC1RAB9A
SCHEMBL20530317 0.88 MET (0.40) METCDKL5MEN1NPC1RAB9A
SCHEMBL20530350 0.88 MEN1 (0.41) METCDKL5MEN1NPC1RAB9A
SCHEMBL20530365 0.88 ADORA2A (0.46) METADORA2AADORA1

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