SCHEMBL20530375

SCHEMBL20530375

CN(C)CCCNC(=O)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TET3 O43151 1/20 0.43
TET2 Q6N021 1/20 0.43
TET1 Q8NFU7 1/20 0.43
RAD52 P43351 2/20 0.41
UBE2N P61088 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
MAP4K4 O95819 2/20 0.37
POLR1A O95602 1/20 0.36
CDKL5 O76039 1/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 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
SCHEMBL20530303 0.96 MET (0.49) METL3MBTL1KDM4ETET3TET2
SCHEMBL20530325 0.92 MEN1 (0.41) METMEN1NPC1RAB9AKMT2A
SCHEMBL20530350 0.91 MEN1 (0.41) METMEN1NPC1RAB9AKMT2A
SCHEMBL20530357 0.90 MEN1 (0.42) METMEN1NPC1RAB9AKMT2A
SCHEMBL20530342 0.90 MET (0.41) METKDM4EMEN1NPC1RAB9A
SCHEMBL20530343 0.89 BRAF (0.41) METMEN1NPC1RAB9AKMT2A
SCHEMBL20530315 0.89 MET (0.40) METMEN1NPC1RAB9AKMT2A
SCHEMBL20530351 0.88 GRIN2B (0.39) METKDM4EMEN1NPC1RAB9A
SCHEMBL20530324 0.88 L3MBTL1 (0.52) L3MBTL1KDM4ETET3TET2TET1
SCHEMBL1329316 0.88 MET (0.56) METCDKL5

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