SCHEMBL1795702

SCHEMBL1795702

Cc1cc(NC(=O)c2nc(C)cc(-c3cc(F)cc(F)c3)n2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.51
SORT1 Q99523 3/20 0.45
HDAC4 P56524 1/20 0.45
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
ATR Q13535 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1795839 0.90 GRM5 (0.52) GRM5SORT1HDAC4SMARCA2SMARCA4
SCHEMBL1792454 0.87 HDAC4 (0.46) GRM5HDAC4
SCHEMBL1797543 0.83 GRM5 (0.49) GRM5SORT1HDAC4SMARCA2SMARCA4
SCHEMBL1794913 0.82 GRM5 (0.51) GRM5SORT1
SCHEMBL1795233 0.81 GRM5 (0.56) GRM5SORT1HDAC4SMARCA2SMARCA4
SCHEMBL1794085 0.79 GRM5 (0.54) GRM5SORT1HDAC4SMARCA2SMARCA4
SCHEMBL1793853 0.74 CYP1A2 (0.50) GRM5SORT1HDAC4SMARCA2SMARCA4
SCHEMBL1793676 0.74 MAPT (0.51) GRM5MEN1KMT2A
SCHEMBL1797125 0.74 GRM5 (0.49) GRM5
SCHEMBL1795369 0.73 GRM5 (0.41) GRM5MEN1KMT2A

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