SCHEMBL2826410

SCHEMBL2826410

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cccc(-n3ccnn3)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.46
SYK P43405 1/20 0.37
PORCN Q9H237 2/20 0.36
NOTUM Q6P988 2/20 0.36
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
IDE P14735 1/20 0.34
MAPK8 P45983 1/20 0.34
JAK2 O60674 2/20 0.33
PRKCQ Q04759 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2826583 0.86 GRM5 (0.48) GRM5SYKPORCNSMARCA2SMARCA4
SCHEMBL2826404 0.85 GRM5 (0.47) GRM5SYKPORCN
SCHEMBL2829130 0.83 GRM5 (0.51) GRM5PORCNSMARCA2SMARCA4MEN1
SCHEMBL2826236 0.81 GRM5 (0.49) GRM5SYK
SCHEMBL2826783 0.81 GRM5 (0.49) GRM5SYKPORCNSMARCA2SMARCA4
SCHEMBL2832991 0.81 GRM5 (0.46) GRM5SYKPORCNSMARCA2SMARCA4
SCHEMBL2826248 0.80 SMARCA2 (0.56) GRM5PORCNMAPK9MAPK10SMARCA2
SCHEMBL2830980 0.80 GRM5 (0.48) GRM5SYKMEN1KMT2A
SCHEMBL2829701 0.80 GRM5 (0.48) GRM5PORCNMEN1KMT2A
SCHEMBL2826714 0.80 GRM5 (0.70) GRM5PORCNSMARCA2SMARCA4JAK2

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-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed