SCHEMBL1797295

SCHEMBL1797295

Cc1csc(NC(=O)c2nc(C)cc(-c3cc(F)cc(F)c3)c2C)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.53
MAPT P10636 2/20 0.49
CYP3A4 P08684 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
GCK P35557 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1796743 0.89 GRM5 (0.63) GRM5MAPTNPC1RAB9AGCK
SCHEMBL1794766 0.89 GRM5 (0.49) GRM5MAPTCYP3A4DRD3SLC6A3
SCHEMBL1794709 0.85 GRM5 (0.53) GRM5MAPTNPC1RAB9AGCK
SCHEMBL1796910 0.83 GRM5 (0.52) GRM5MAPTCYP3A4DRD3SLC6A3
SCHEMBL1797599 0.82 ABL1 (0.53) GRM5MAPTNPC1RAB9AGCK
SCHEMBL1794208 0.82 GRM5 (0.42) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL1794178 0.82 GRM5 (0.54) GRM5MAPTNPC1RAB9AGCK
SCHEMBL1797024 0.81 GRM5 (0.54) GRM5MAPTNPC1RAB9AMEN1
SCHEMBL1796425 0.80 SMARCA2 (0.57) GRM5MAPTNPC1RAB9AGCK
SCHEMBL1793269 0.79 GRM5 (0.56) GRM5MAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US claimed
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US disclosed