SCHEMBL2824596

SCHEMBL2824596

Cc1nc(OC(=O)Nc2ccnc(Cl)c2)c(NCC2CC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 7/20 0.43
SMARCA4 P51532 6/20 0.43
MAPK14 Q16539 2/20 0.41
PIK3CG P48736 2/20 0.37
GRM5 P41594 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CRHR1 P34998 2/20 0.34
PIK3CD O00329 1/20 0.34
PIP5K1C O60331 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
PIK3R4 Q99570 1/20 0.34
PIP5K1A Q99755 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
SCHEMBL2828469 0.85 GRM4 (0.41) SMARCA2SMARCA4GRM5
SCHEMBL2828939 0.83 SMARCA2 (0.48) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2828553 0.82 PIK3C3 (0.38) MAPK14GRM5PIK3C3
SCHEMBL2826248 0.80 SMARCA2 (0.56) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2824786 0.78 GRM5 (0.46) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2830759 0.78 SMARCA2 (0.43) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2831187 0.78 GRM5 (0.57) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2829478 0.77 SMARCA2 (0.53) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2826560 0.77 GRM5 (0.46) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2827196 0.77 GRM5 (0.58) SMARCA2SMARCA4PIK3CGGRM5NPC1

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