SCHEMBL16454805

SCHEMBL16454805

COc1ccc(NC(=O)Nc2cccn3c(C4CCC4)nnc23)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ KMT2A Q03164 8/20 0.49
▸ MEN1 O00255 7/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ BLM P54132 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42

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
SCHEMBL16454899 0.92 MEN1 (0.47) MAPTMAPK1KMT2AMEN1RAB9A
SCHEMBL16454772 0.90 MAPT (0.44) MAPTMAPK1KMT2AMEN1RAB9A
SCHEMBL16454806 0.86 KMT2A (0.49) MAPTMAPK1KMT2AMEN1ALDH1A1
SCHEMBL16454903 0.82 ALOX15 (0.47) MAPTMAPK1KMT2AMEN1RAB9A
SCHEMBL16454904 0.80 RAB9A (0.50) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL16454832 0.80 RAB9A (0.52) MAPTMAPK1KMT2AMEN1RAB9A
SCHEMBL16454808 0.80 SMN1; SMN2 (0.49) MAPTMAPK1KMT2AMEN1RAB9A
SCHEMBL16454893 0.79 NPSR1 (0.55) MAPTMAPK1KMT2AMEN1RAB9A
SCHEMBL16454907 0.78 KDM4E (0.48) MAPTMAPK1KMT2AMEN1RAB9A
SCHEMBL16454908 0.77 ALDH1A1 (0.47) MAPTMAPK1KMT2AMEN1RAB9A

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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