SCHEMBL2826367

SCHEMBL2826367

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cc(F)cc(C#N)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
IDH1 O75874 1/20 0.35
CSNK2A1 P68400 1/20 0.35
POLQ O75417 1/20 0.35
PORCN Q9H237 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL2826716 0.91 GRM5 (0.50) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2830074 0.89 CSNK2A1 (0.38) GRM5CSNK2A1POLQ
SCHEMBL2829701 0.87 GRM5 (0.48) GRM5PORCNPSEN1PSEN2APH1B
SCHEMBL2829312 0.86 GRM5 (0.52) GRM5SMARCA2SMARCA4POLQPORCN
SCHEMBL2826546 0.86 GRM5 (0.46) GRM5SMARCA2SMARCA4CSNK2A1PORCN
SCHEMBL2828456 0.85 GRM5 (0.45) GRM5SMARCA2SMARCA4PORCNPSEN1
SCHEMBL2829553 0.84 GRM5 (0.48) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2829130 0.84 GRM5 (0.51) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2831334 0.83 GRM5 (0.54) GRM5SMARCA2SMARCA4POLQPORCN
SCHEMBL2830759 0.82 SMARCA2 (0.43) GRM5SMARCA2SMARCA4

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