SCHEMBL29645504

SCHEMBL29645504

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ADORA3 P0DMS8 3/20 0.42
POLB P06746 2/20 0.41
ADORA1 P30542 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 2/20 0.38
RAD52 P43351 2/20 0.38
SMARCA2 P51531 1/20 0.38
KMT2A Q03164 1/20 0.38
UHRF1 Q96T88 1/20 0.38
ADORA2A P29274 1/20 0.37
HCRTR1 O43613 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
SCHEMBL29645485 0.93 MAPT (0.44) MAPTADORA3POLBADORA1RXFP1
SCHEMBL29645486 0.91 ADORA3 (0.52) MAPTADORA3POLBADORA1THRB
SCHEMBL29645685 0.91 MAPT (0.41) MAPTADORA3POLBADORA1RXFP1
SCHEMBL29645477 0.87 MAPT (0.37) MAPTADORA3POLBRXFP1TP53
SCHEMBL29645760 0.87 MAPT (0.56) MAPTADORA3POLBADORA1RXFP1
SCHEMBL29645925 0.86 MAPT (0.43) MAPTADORA3POLBADORA1RXFP1
SCHEMBL29645503 0.84 ADORA3 (0.49) MAPTADORA3POLBADORA1RXFP1
SCHEMBL29645859 0.83 MAPT (0.44) MAPTADORA3POLBADORA1RXFP1
SCHEMBL29645625 0.83 MAPT (0.44) MAPTADORA3POLBADORA1RXFP1
SCHEMBL29646134 0.83 CYP1A2 (0.42) MAPTPOLBTP53KMT2A

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 4 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
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 disclosed
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