SCHEMBL2826404

SCHEMBL2826404

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cccc(-n3ccnc3)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
ABL1 P00519 2/20 0.44
PDGFRB P09619 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
CD38 P28907 3/20 0.41
SYK P43405 3/20 0.40
S1PR1 P21453 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
PORCN Q9H237 2/20 0.38
KIT P10721 1/20 0.37
DDR1 Q08345 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL2826410 0.85 GRM5 (0.46) GRM5SYKPORCN
SCHEMBL2826583 0.85 GRM5 (0.48) GRM5SYKS1PR1PORCNLMNA
SCHEMBL2829130 0.82 GRM5 (0.51) GRM5PORCNMAPT
SCHEMBL2826714 0.81 GRM5 (0.70) GRM5ABL1PDGFRBBCRSRC
SCHEMBL2826236 0.81 GRM5 (0.49) GRM5SYK
SCHEMBL2826783 0.81 GRM5 (0.49) GRM5SYKPORCNLMNAMAPK1
SCHEMBL2832991 0.80 GRM5 (0.46) GRM5SYKPORCNLMNAMAPT
SCHEMBL2826248 0.80 SMARCA2 (0.56) GRM5PORCN
SCHEMBL2829701 0.80 GRM5 (0.48) GRM5PORCNMAPT
SCHEMBL2830980 0.80 GRM5 (0.48) GRM5SYKGAALMNAMAPT

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