SCHEMBL1794178

SCHEMBL1794178

Cc1cc(-c2cc(C)nc(C(=O)Nc3nc(C)cs3)c2C)ccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.54
MAPT P10636 2/20 0.51
NPC1 O15118 8/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 7/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
GCK P35557 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL1796425 0.90 SMARCA2 (0.57) GRM5MAPTNPC1MEN1KMT2A
SCHEMBL1794709 0.84 GRM5 (0.53) GRM5MAPTNPC1MEN1KMT2A
SCHEMBL1797024 0.84 GRM5 (0.54) GRM5MAPTNPC1MEN1KMT2A
SCHEMBL1796743 0.84 GRM5 (0.63) GRM5MAPTNPC1MEN1KMT2A
SCHEMBL1796910 0.82 GRM5 (0.52) GRM5MAPTNPC1MEN1KMT2A
SCHEMBL1797295 0.82 GRM5 (0.53) GRM5MAPTNPC1MEN1KMT2A
SCHEMBL1797599 0.81 ABL1 (0.53) GRM5MAPTNPC1MEN1KMT2A
SCHEMBL1796144 0.80 GRM5 (0.58) GRM5MAPTNPC1RAB9AKDM4E
SCHEMBL1794766 0.79 GRM5 (0.49) GRM5MAPTNPC1MEN1KMT2A
SCHEMBL1797917 0.77 GRM5 (0.60) GRM5MAPTNPC1MEN1KMT2A

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