SCHEMBL29645510

SCHEMBL29645510

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(OC4CC4)cc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
THRB P10828 2/20 0.44
ADORA3 P0DMS8 3/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
ALPL P05186 2/20 0.40
LMNA P02545 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
ADORA1 P30542 1/20 0.39
RAD52 P43351 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMARCA2 P51531 1/20 0.38
UHRF1 Q96T88 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 2/20 0.37
GABRP O00591 1/20 0.37

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
SCHEMBL31150027 0.92 MAPT (0.42) MAPTTHRBADORA3POLBKMT2A
SCHEMBL29645720 0.87 ADORA3 (0.57) MAPTTHRBADORA3POLBKMT2A
SCHEMBL29645487 0.87 MAPT (0.59) MAPTTHRBADORA3POLBGAA
SCHEMBL29645760 0.86 MAPT (0.56) MAPTTHRBADORA3POLBKMT2A
SCHEMBL29645700 0.84 MAPT (0.45) MAPTTHRBADORA3POLBKMT2A
SCHEMBL29646028 0.84 MAPT (0.45) MAPTTHRBADORA3POLBKMT2A
SCHEMBL29645441 0.84 MAPT (0.47) MAPTTHRBADORA3POLBKMT2A
SCHEMBL29645834 0.84 ADORA3 (0.49) MAPTTHRBADORA3POLBKMT2A
SCHEMBL29645503 0.84 ADORA3 (0.49) MAPTTHRBADORA3POLBKMT2A
SCHEMBL29645888 0.84 MAPT (0.55) MAPTTHRBADORA3POLBKMT2A

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-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 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 claimed