SCHEMBL29645441

SCHEMBL29645441

CC(C)Oc1ccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
THRB P10828 2/20 0.47
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ADORA3 P0DMS8 3/20 0.43
TP53 P04637 2/20 0.42
RAD52 P43351 2/20 0.41
KMT2A Q03164 2/20 0.41
SMARCA2 P51531 1/20 0.41
UHRF1 Q96T88 1/20 0.41
GAA P10253 2/20 0.40
ALPL P05186 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACP1 P24666 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HCRTR1 O43613 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL31149904 0.92 MAPT (0.45) MAPTTHRBPOLBLMNAHTT
SCHEMBL29646028 0.91 MAPT (0.45) MAPTTHRBPOLBLMNAHTT
SCHEMBL29645487 0.90 MAPT (0.59) MAPTTHRBPOLBADORA3TP53
SCHEMBL29645720 0.88 ADORA3 (0.57) MAPTTHRBPOLBLMNAHTT
SCHEMBL29645760 0.87 MAPT (0.56) MAPTTHRBPOLBHTTADORA3
SCHEMBL29645899 0.86 MAPT (0.41) MAPTTHRBPOLBLMNAHTT
SCHEMBL29645700 0.85 MAPT (0.45) MAPTTHRBPOLBHTTADORA3
SCHEMBL29645888 0.84 MAPT (0.55) MAPTTHRBPOLBLMNAADORA3
SCHEMBL29645503 0.84 ADORA3 (0.49) MAPTTHRBPOLBADORA3TP53
SCHEMBL29645834 0.84 ADORA3 (0.49) MAPTTHRBPOLBLMNAHTT

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
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