SCHEMBL1968552

SCHEMBL1968552

Cc1ccc2nc(-c3ccccc3Cl)c(Nc3ccccc3)n2c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.70
TP53 P04637 8/20 0.70
MAPT P10636 8/20 0.68
POLB P06746 2/20 0.68
SMN1; SMN2 Q16637 4/20 0.65
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HPGD P15428 3/20 0.65
THRB P10828 1/20 0.64
PKM P14618 3/20 0.62
HTT P42858 2/20 0.62
PKLR P30613 2/20 0.62
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NR1H4 Q96RI1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL1969334 0.87 GAA (0.90) GAATP53MAPTPOLBSMN1; SMN2
SCHEMBL15152605 0.86 GAA (0.64) GAATP53MAPTPOLBSMN1; SMN2
SCHEMBL1967109 0.85 GAA (0.70) GAATP53MAPTPOLBSMN1; SMN2
SCHEMBL1966036 0.85 GAA (0.70) GAATP53MAPTPOLBSMN1; SMN2
SCHEMBL1965255 0.82 GAA (0.64) GAATP53MAPTSMN1; SMN2KDM4E
SCHEMBL1966521 0.81 GAA (0.66) GAATP53MAPTPOLBSMN1; SMN2
SCHEMBL1970623 0.81 GAA (0.58) GAATP53MAPTPOLBSMN1; SMN2
SCHEMBL1970425 0.81 GAA (0.60) GAATP53MAPTPOLBSMN1; SMN2
SCHEMBL1967393 0.79 ALOX5 (0.74) GAASMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL1968549 0.78 ALOX5 (0.77) GAASMN1; SMN2KDM4EALDH1A1PKM

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
EP-2334675-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-06-22 EP disclosed
WO-2010032195-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2010-03-25 WO disclosed