SCHEMBL16454802

SCHEMBL16454802

COc1ccccc1C(=O)Nc1cccn2c(-c3cccnc3)nnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ PDGFRB P09619 2/20 0.49
▸ BCR P11274 2/20 0.49
▸ PDGFRA P16234 2/20 0.49
▸ PRKCA P17252 2/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ATR Q13535 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ ABCC1 P33527 1/20 0.46
▸ LMNA P02545 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
SCHEMBL16454880 0.92 MAPT (0.55) MAPTKMT2ARAB9AIRAK4HSD17B10
SCHEMBL16454801 0.89 MAPT (0.50) MAPTMEN1KMT2ARAB9AHSD17B10
SCHEMBL16454723 0.88 AHR (0.58) MAPTMEN1KMT2AIRAK4HSD17B10
SCHEMBL16454879 0.83 IRAK4 (0.51) MAPTKMT2ARAB9AIRAK4HSD17B10
SCHEMBL16454809 0.83 TSHR (0.53) MAPTMEN1KMT2ARAB9AHSD17B10
SCHEMBL16454794 0.78 ALDH1A1 (0.61) MAPTMEN1KMT2AHSD17B10TSHR
SCHEMBL16454709 0.76 SMN1; SMN2 (0.59) MAPTMEN1KMT2ARAB9AHSD17B10
SCHEMBL16454891 0.73 NPSR1 (0.53) MAPTMEN1KMT2ARAB9AHSD17B10
SCHEMBL16454893 0.73 NPSR1 (0.55) MAPTMEN1KMT2ARAB9AHSD17B10
SCHEMBL16454784 0.73 TSHR (0.46) MAPTMEN1KMT2ARAB9AHSD17B10

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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