SCHEMBL2829478

SCHEMBL2829478

Cc1nc(OC(=O)Nc2ccnc(Cl)c2)c(Nc2ccccn2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 5/20 0.53
SMARCA4 P51532 5/20 0.53
JAK2 O60674 3/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK3 P52333 1/20 0.39
GRM5 P41594 4/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK10 P53779 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2828939 0.88 SMARCA2 (0.48) SMARCA2SMARCA4JAK2JAK1TYK2
SCHEMBL2827277 0.87 JAK2 (0.44) SMARCA2SMARCA4JAK2JAK1TYK2
SCHEMBL2830047 0.85 SMARCA2 (0.41) SMARCA2SMARCA4JAK2JAK1TYK2
SCHEMBL2826248 0.85 SMARCA2 (0.56) SMARCA2SMARCA4JAK2JAK1TYK2
SCHEMBL2827196 0.83 GRM5 (0.58) SMARCA2SMARCA4JAK2NPC1JAK3
SCHEMBL2831187 0.83 GRM5 (0.57) SMARCA2SMARCA4NPC1RAB9AGRM5
SCHEMBL2824786 0.83 GRM5 (0.46) SMARCA2SMARCA4NPC1RAB9ASMN1; SMN2
SCHEMBL2830759 0.83 SMARCA2 (0.43) SMARCA2SMARCA4NPC1RAB9ASMN1; SMN2
SCHEMBL2826591 0.81 GRM5 (0.46) JAK2NPC1RAB9AMAPTJAK3
SCHEMBL2826560 0.81 GRM5 (0.46) SMARCA2SMARCA4NPC1RAB9AMAPT

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