SCHEMBL2828233

SCHEMBL2828233

Cc1nc(OC(=O)Nc2ccnc(Cl)c2)c(Nc2cnccc2C)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 7/20 0.42
SMARCA4 P51532 6/20 0.42
GRM5 P41594 3/20 0.41
MAPK3 P27361 1/20 0.36
ABL1 P00519 4/20 0.36
BCR P11274 3/20 0.36
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
PORCN Q9H237 1/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
IMPDH2 P12268 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
SCHEMBL2830413 0.91 GRM5 (0.51) SMARCA2SMARCA4GRM5ABL1BCR
SCHEMBL2824920 0.88 ABL1 (0.45) GRM5ABL1BCRNPC1RAB9A
SCHEMBL2828939 0.87 SMARCA2 (0.48) SMARCA2SMARCA4GRM5MAPK3PORCN
SCHEMBL2827196 0.85 GRM5 (0.58) SMARCA2SMARCA4GRM5ABL1PORCN
SCHEMBL2827277 0.85 JAK2 (0.44) SMARCA2SMARCA4GRM5NPC1RAB9A
SCHEMBL2831187 0.85 GRM5 (0.57) SMARCA2SMARCA4GRM5NPC1CASP3
SCHEMBL2830047 0.83 SMARCA2 (0.41) SMARCA2SMARCA4GRM5MAPK3PORCN
SCHEMBL2826560 0.83 GRM5 (0.46) SMARCA2SMARCA4GRM5NPC1CASP3
SCHEMBL2826248 0.83 SMARCA2 (0.56) SMARCA2SMARCA4GRM5PORCNNPC1
SCHEMBL2829033 0.82 GRM5 (0.44) SMARCA2SMARCA4GRM5

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