SCHEMBL20530293

SCHEMBL20530293

O=C(NCCN1CCCCC1)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
MAPT P10636 1/20 0.48
MAP4K4 O95819 2/20 0.46
HPGDS O60760 1/20 0.44
PARP1 P09874 3/20 0.44
ATR Q13535 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
APP P05067 2/20 0.41
BRAF P15056 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SRC P12931 1/20 0.40

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
SCHEMBL20530352 0.88 HDAC6 (0.41) MAPTMAP4K4ATRMEN1KMT2A
SCHEMBL20530333 0.87 MET (0.46) TP53MAPTMAP4K4MEN1KMT2A
SCHEMBL1330756 0.86 MET (0.51) TP53MAPTMAP4K4HPGDSMEN1
SCHEMBL1330028 0.85 MET (0.52) TP53MAPTMAP4K4HPGDSMEN1
SCHEMBL20530297 0.85 MKNK1 (0.46) TP53MAP4K4PARP1BRAF
SCHEMBL20530292 0.84 MET (0.51) TP53MAPTMAP4K4MEN1KMT2A
SCHEMBL20530324 0.83 L3MBTL1 (0.52) TP53MAPTMAP4K4
SCHEMBL20530341 0.83 HDAC6 (0.43) TP53MAPTMAP4K4KMT2A
SCHEMBL20530355 0.83 RIPK1 (0.43) TP53MAPTKMT2A
SCHEMBL20530329 0.81 MKNK1 (0.40) TP53HPGDSMEN1KMT2A

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