SCHEMBL29645587

SCHEMBL29645587

O=C1NCCC[C@H]1Nc1nc2ccccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ACP1 P24666 1/20 0.33
MGLL Q99685 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
TP53 P04637 1/20 0.33
ADORA2B P29275 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
C1R P00736 1/20 0.33

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
SCHEMBL22979138 1.00 MAPT (0.36) MAPTFPR2SCN9AADORA3ACP1
SCHEMBL22988022 0.98 MKNK1 (0.36) MAPTFPR2SCN9AADORA3MGLL
SCHEMBL22979590 0.98 MKNK1 (0.36) MAPTFPR2SCN9AADORA3MGLL
SCHEMBL29648620 0.98 MKNK1 (0.36) MAPTFPR2SCN9AADORA3MGLL
SCHEMBL29648888 0.98 MKNK1 (0.36) MAPTFPR2SCN9AADORA3MGLL
SCHEMBL22980806 0.95 MAPT (0.37) MAPTFPR2SCN9AADORA3MGLL
SCHEMBL29645751 0.95 MAPT (0.37) MAPTFPR2SCN9AADORA3MGLL
SCHEMBL29645450 0.95 MAPT (0.35) MAPTFPR2SCN9AADORA3ACP1
SCHEMBL22979398 0.95 MAPT (0.35) MAPTFPR2SCN9AADORA3ACP1
SCHEMBL22979155 0.92 MKNK1 (0.35) MAPTFPR2SCN9AACP1MGLL

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 3 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
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP 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