SCHEMBL2829312

SCHEMBL2829312

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cncc(C#N)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.52
PORCN Q9H237 2/20 0.37
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
POLQ O75417 1/20 0.35
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
LRRK2 Q5S007 2/20 0.33
PIK3CG P48736 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL2830286 0.88 GRM5 (0.40) GRM5POLQPIK3CGCDK4CDK2
SCHEMBL2829701 0.88 GRM5 (0.48) GRM5PORCNPSEN1PSEN2APH1B
SCHEMBL2833088 0.88 GRM5 (0.56) GRM5PORCNSMARCA2SMARCA4HDAC3
SCHEMBL2829117 0.86 GRM5 (0.38) GRM5PIK3CGCDK4CDK2NPC1
SCHEMBL2826367 0.86 GRM5 (0.44) GRM5PORCNSMARCA2SMARCA4POLQ
SCHEMBL2828456 0.86 GRM5 (0.45) GRM5PORCNSMARCA2SMARCA4PSEN1
SCHEMBL2826318 0.86 GRM5 (0.54) GRM5PORCNSMARCA2SMARCA4NPC1
SCHEMBL2831334 0.86 GRM5 (0.54) GRM5PORCNSMARCA2SMARCA4POLQ
SCHEMBL2833093 0.86 GRM5 (0.69) GRM5PORCNSMARCA2SMARCA4HDAC3
SCHEMBL2831342 0.85 GRM5 (0.53) GRM5PORCNSMARCA2SMARCA4NPC1

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