SCHEMBL3971703

SCHEMBL3971703

CCOC(=O)c1cc2ccn(-c3ccccc3)c2cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 11/20 0.54
GABRB2 P47870 11/20 0.54
GABRP O00591 6/20 0.49
GABRD O14764 6/20 0.49
GABRA1 P14867 6/20 0.49
GABRB1 P18505 6/20 0.49
GABRG2 P18507 6/20 0.49
GABRB3 P28472 6/20 0.49
GABRA5 P31644 6/20 0.49
GABRA3 P34903 6/20 0.49
GABRA4 P48169 6/20 0.49
GABRE P78334 6/20 0.49
GABRA6 Q16445 6/20 0.49
GABRG1 Q8N1C3 6/20 0.49
GABRG3 Q99928 6/20 0.49
GABRQ Q9UN88 6/20 0.49
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL3973806 0.79 TSHR (0.49) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL13883871 0.79 SIRT2 (0.54) GABRA2GABRB2ALDH1A1MAPTKDM4E
SCHEMBL30712292 0.76 GABRA1 (0.59) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL2201127 0.76 GABRA1 (0.59) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL30712301 0.76 GABRA1 (0.59) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL2881651 0.75 NPC1 (0.48) GABRA2GABRB2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14255128 0.74 GABRA2 (0.50) GABRA2GABRB2NPC1
SCHEMBL2215015 0.72 CNR2 (0.71) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL4962137 0.72 GABRA2 (0.75) GABRA2GABRB2ALDH1A1MAPTKDM4E
SCHEMBL2945382 0.72 MAOB (0.49) GABRA2GABRB2GABRPGABRDGABRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016078-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2009-01-21 EP disclosed
WO-2007115315-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2007-10-11 WO disclosed