SCHEMBL29645486

SCHEMBL29645486

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.52
MAPT P10636 6/20 0.46
ADORA1 P30542 3/20 0.45
ADORA2A P29274 2/20 0.45
POLB P06746 2/20 0.44
RAD52 P43351 2/20 0.42
SMARCA2 P51531 1/20 0.42
KMT2A Q03164 1/20 0.42
UHRF1 Q96T88 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
THRB P10828 1/20 0.41
TNKS O95271 1/20 0.39
WNT3A P56704 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HCRTR1 O43613 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
SCHEMBL29645504 0.91 MAPT (0.43) ADORA3MAPTADORA1ADORA2APOLB
SCHEMBL29645760 0.90 MAPT (0.56) ADORA3MAPTADORA1POLBRAD52
SCHEMBL29645485 0.90 MAPT (0.44) ADORA3MAPTADORA1POLBABCG2
SCHEMBL29645503 0.89 ADORA3 (0.49) ADORA3MAPTADORA1ADORA2APOLB
SCHEMBL29645685 0.88 MAPT (0.41) ADORA3MAPTADORA1POLBRAD52
SCHEMBL29645909 0.88 ADORA3 (0.44) ADORA3MAPTADORA1ADORA2AABCG2
SCHEMBL29645700 0.88 MAPT (0.45) ADORA3MAPTADORA1POLBRAD52
SCHEMBL29645925 0.87 MAPT (0.43) ADORA3MAPTADORA1POLBRAD52
SCHEMBL29645834 0.87 ADORA3 (0.49) ADORA3MAPTADORA1ADORA2APOLB
SCHEMBL29645888 0.87 MAPT (0.55) ADORA3MAPTADORA1ADORA2APOLB

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