SCHEMBL29645528

SCHEMBL29645528

CS(=N)(=O)c1cccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 10/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
THRB P10828 2/20 0.41
HCRTR1 O43613 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ALPL P05186 1/20 0.39
GAA P10253 1/20 0.39
RAD52 P43351 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL29646011 1.00 TP53 (0.44) TP53RXFP1MAPTPOLBSMN1; SMN2
SCHEMBL29645646 1.00 TP53 (0.44) TP53RXFP1MAPTPOLBSMN1; SMN2
SCHEMBL29645808 0.93 TP53 (0.45) TP53RXFP1MAPTPOLBSMN1; SMN2
SCHEMBL29645691 0.90 MAPT (0.44) TP53RXFP1MAPTPOLBSMN1; SMN2
SCHEMBL29645490 0.90 MAPT (0.44) TP53RXFP1MAPTPOLBSMN1; SMN2
SCHEMBL29645795 0.90 MAPT (0.44) TP53RXFP1MAPTPOLBSMN1; SMN2
SCHEMBL29646421 0.86 CYP1A2 (0.51) TP53RXFP1MAPTSMN1; SMN2KDM4E
SCHEMBL29645571 0.85 MAPT (0.46) TP53RXFP1MAPTPOLBSMN1; SMN2
SCHEMBL31150295 0.85 MAPT (0.43) TP53MAPTPOLBSMN1; SMN2THRB
SCHEMBL29645760 0.85 MAPT (0.56) TP53RXFP1MAPTPOLBSMN1; SMN2

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
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed