SCHEMBL17685495

SCHEMBL17685495

Cc1cc(NC(=O)Oc2nccnc2Nc2ccccc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 2/20 0.49
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SORT1 Q99523 3/20 0.42
GRM5 P41594 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
DHODH Q02127 1/20 0.40
CYP1A2 P05177 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39

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
SCHEMBL17685484 0.82 MAPT (0.51) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL15890225 0.79 PORCN (0.68) PORCNSMARCA2SMARCA4MAPTMAPK1
SCHEMBL1383789 0.79 GRM5 (0.51) SMARCA2SMARCA4MAPTMAPK1SORT1
SCHEMBL25821628 0.79 PORCN (0.55) PORCNSMARCA2SMARCA4MAPTMAPK1
SCHEMBL24010293 0.75 ALDH1A1 (0.52) PORCNSMARCA2SMARCA4MAPTMAPK1
SCHEMBL9828922 0.73 SMARCA2 (0.69) SMARCA2SMARCA4MAPTMAPK1LMNA
SCHEMBL25820900 0.73 SMARCA2 (0.61) SMARCA2SMARCA4MAPTMAPK1LMNA
SCHEMBL31129258 0.73 SMARCA2 (0.64) PORCNSMARCA2SMARCA4MAPK1SORT1
SCHEMBL2826714 0.72 GRM5 (0.70) PORCNSMARCA2SMARCA4MAPTGRM5
SCHEMBL17685478 0.72 SMARCA2 (0.47) PORCNSMARCA2SMARCA4SORT1GRM5

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
EP-1858862-B1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-04-20 EP claimed