SCHEMBL3837869

SCHEMBL3837869

N#Cc1cccc(C#Cc2cncc(NC(=O)O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM4 Q14833 1/20 0.44
PTPN11 Q06124 1/20 0.43
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL1477661 0.84 GRM5 (0.47) GRM5MAPTALDH1A1LMNANPC1
SCHEMBL28723840 0.84 GPR35 (0.47) GRM5MAPTALDH1A1MEN1KMT2A
SCHEMBL1028239 0.84 MAPT (0.45) GRM5MAPTALDH1A1FFAR1PTPN11
SCHEMBL1476179 0.82 PDK1 (0.46) GRM5PDGFRBKDR
SCHEMBL3836707 0.81 PTPN1 (0.57) GRM5MAPTMEN1KMT2AHTT
SCHEMBL4901069 0.79 MAPT (0.68) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL1476533 0.79 GRM5 (0.53) GRM5
Fluoride SCHEMBL11786822 0.78 MAPT (0.66) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL1477807 0.75 GRM5 (0.56) GRM5
SCHEMBL1477198 0.74 MAPT (0.55) GRM5MAPTALDH1A1MEN1KMT2A

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-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed