SCHEMBL2826560

SCHEMBL2826560

Cc1nc(OC(=O)Nc2ccnc(Cl)c2)c(Nc2cncc(Cl)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.46
SMARCA2 P51531 8/20 0.41
SMARCA4 P51532 7/20 0.41
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MAPT P10636 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL2826318 0.93 GRM5 (0.54) GRM5SMARCA2SMARCA4NPC1CASP3
SCHEMBL2829033 0.90 GRM5 (0.44) GRM5SMARCA2SMARCA4
SCHEMBL2831187 0.90 GRM5 (0.57) GRM5SMARCA2SMARCA4NPC1CASP3
SCHEMBL2828939 0.90 SMARCA2 (0.48) GRM5SMARCA2SMARCA4NPC1CASP3
SCHEMBL2827196 0.88 GRM5 (0.58) GRM5SMARCA2SMARCA4NPC1PIK3CA
SCHEMBL2826248 0.86 SMARCA2 (0.56) GRM5SMARCA2SMARCA4NPC1CASP3
SCHEMBL2827812 0.85 SMARCA2 (0.46) GRM5SMARCA2SMARCA4NPC1CASP3
SCHEMBL2827277 0.84 JAK2 (0.44) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL2830759 0.84 SMARCA2 (0.43) GRM5SMARCA2SMARCA4NPC1CASP3
SCHEMBL2824786 0.84 GRM5 (0.46) GRM5SMARCA2SMARCA4NPC1CASP3

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