SCHEMBL16454801

SCHEMBL16454801

COc1ccccc1C(=O)Nc1cccn2c(-c3ccncc3)nnc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ RAB9A P51151 6/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 2/20 0.47
▸ KCNMA1 Q12791 2/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ TP53 P04637 1/20 0.46
▸ BRPF1 P55201 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL16454802 0.89 MAPT (0.49) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL16454709 0.87 SMN1; SMN2 (0.59) MAPTTSHRGAAHSD17B10RAB9A
SCHEMBL16454809 0.86 TSHR (0.53) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL16454878 0.82 LMNA (0.51) MAPTGAAMAPK1HSD17B10RAB9A
SCHEMBL16454794 0.81 ALDH1A1 (0.61) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL16454880 0.81 MAPT (0.55) MAPTTSHRHSD17B10RAB9AKMT2A
SCHEMBL16454891 0.78 NPSR1 (0.53) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL16454893 0.78 NPSR1 (0.55) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL16454892 0.77 NPSR1 (0.52) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL16454723 0.76 AHR (0.58) MAPTHSD17B10KMT2AMEN1SMN1; SMN2

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
WO-2015020565-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES EXHIBITING ANTAGONIST PROPERTIES TO ADENOSINE A2A RECEPTORS, AND USE THEREOF ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "НЬЮВАК" (ООО "НЬЮВАК") (RU) 2015-02-12 — — WO disclosed
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