SCHEMBL2829553

SCHEMBL2829553

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2ccnc(C#N)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
PORCN Q9H237 2/20 0.40
SMARCA2 P51531 2/20 0.39
SMARCA4 P51532 2/20 0.39
HDAC6 Q9UBN7 2/20 0.35
HDAC4 P56524 1/20 0.35
MALT1 Q9UDY8 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
SORT1 Q99523 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN10A Q9Y5Y9 3/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL2829701 0.88 GRM5 (0.48) GRM5PORCNMEN1KMT2A
SCHEMBL2826248 0.86 SMARCA2 (0.56) GRM5PORCNSMARCA2SMARCA4HDAC6
SCHEMBL2828456 0.85 GRM5 (0.45) GRM5PORCNSMARCA2SMARCA4SORT1
SCHEMBL2829312 0.85 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4HDAC6
SCHEMBL2826367 0.84 GRM5 (0.44) GRM5PORCNSMARCA2SMARCA4
SCHEMBL2826716 0.83 GRM5 (0.50) GRM5PORCNSMARCA2SMARCA4HDAC6
SCHEMBL2833093 0.83 GRM5 (0.69) GRM5PORCNSMARCA2SMARCA4HDAC6
SCHEMBL2829130 0.82 GRM5 (0.51) GRM5PORCNSMARCA2SMARCA4MEN1
SCHEMBL2829934 0.82 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4HDAC6
SCHEMBL2833088 0.81 GRM5 (0.56) GRM5PORCNSMARCA2SMARCA4HDAC6

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