SCHEMBL5199566

SCHEMBL5199566

Cc1nc(C(=O)Nc2ncn(C)n2)c(Nc2cc(F)cc(F)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.48
RIPK1 Q13546 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
MITF O75030 1/20 0.33
SYK P43405 1/20 0.33
NTRK1 P04629 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL2828486 0.82 GRM5 (0.33) GRM5HDAC3HDAC1HDAC2HDAC6
SCHEMBL2826274 0.75 GRM5 (0.46) GRM5HDAC3HDAC1HDAC2HDAC6
SCHEMBL5185506 0.74 GRM5 (0.47) GRM5NPC1RAB9A
SCHEMBL5199075 0.73 GRM5 (0.47) GRM5HDAC1NPC1RAB9A
SCHEMBL5199983 0.71 GRM5 (0.46) GRM5HDAC1NPC1RAB9A
SCHEMBL2829709 0.68 CSNK2A1 (0.43) GRM5NPC1RAB9A
SCHEMBL2831219 0.66 NPC1 (0.37) GRM5NTRK1NPC1RAB9A
SCHEMBL2830963 0.65 CSNK2A1 (0.45) GRM5
SCHEMBL3527323 0.65 GRM5 (0.37) GRM5HDAC3HDAC1HDAC2HDAC6
SCHEMBL5198047 0.65 GRM5 (0.64) GRM5NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed