SCHEMBL2832964

SCHEMBL2832964

Cc1nc(OC(=O)Nc2ccc(F)cn2)c(Nc2cnccn2)s1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.52
KMT2A Q03164 1/20 0.39
PORCN Q9H237 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
KCNH2 Q12809 1/20 0.37
JAK2 O60674 1/20 0.37
CYP3A4 P08684 2/20 0.37
SLC6A3 Q01959 1/20 0.37
NOTUM Q6P988 1/20 0.35
LCK P06239 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
SCHEMBL2829131 0.87 GRM5 (0.47) GRM5KMT2ACYP1A2CYP2C9KCNH2
SCHEMBL2830123 0.86 GRM5 (0.51) GRM5PORCNCYP1A2CYP2C9KCNH2
SCHEMBL2830236 0.86 GRM5 (0.71) GRM5JAK2NOTUM
SCHEMBL2826336 0.85 GRM5 (0.70) GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2832204 0.83 GRM5 (0.56) GRM5CYP1A2CYP2C9KCNH2JAK2
SCHEMBL2830253 0.83 GRM5 (0.51) GRM5KMT2AJAK2
SCHEMBL2830193 0.82 GRM5 (0.51) GRM5CYP1A2CYP2C9KCNH2JAK2
SCHEMBL2829440 0.82 GRM5 (0.51) GRM5PORCNCYP1A2CYP2C9KCNH2
SCHEMBL2832138 0.82 GRM5 (0.56) GRM5CYP1A2CYP2C9KCNH2JAK2
SCHEMBL2829041 0.81 GRM5 (0.54) GRM5CYP1A2CYP2C9KCNH2CYP3A4

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