SCHEMBL20040419

SCHEMBL20040419

CNc1nc2ccccc2n1-c1ccccc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 4/20 0.44
MAPK1 P28482 2/20 0.44
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LCK P06239 3/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL15605425 0.89 TSHR (0.68) TSHRALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL19486136 0.85 TSHR (0.48) TSHRALDH1A1KMT2AL3MBTL1HTT
SCHEMBL22513715 0.80 HSD17B10 (0.42) TSHRALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL15605424 0.80 TSHR (1.00) TSHRALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL19486457 0.79 NPSR1 (0.49) TSHRALDH1A1KMT2AHTTMAPK1
SCHEMBL15605428 0.79 TSHR (0.55) TSHRALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL804994 0.77 TSHR (0.70) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL19486106 0.77 TSHR (0.70) TSHRALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL20040513 0.77 TSHR (0.70) TSHRALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL804812 0.75 TSHR (0.68) TSHRALDH1A1KMT2ALMNAL3MBTL1

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-3318566-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2018-05-09 EP disclosed
EP-3053918-B1 2-carbazole substituted benzimidazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed