SCHEMBL29645707

SCHEMBL29645707

O=C1NCCC[C@H]1Nc1nc2ccccc2c2nc(-c3ccccc3OC(F)(F)F)nn12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.39
MGLL Q99685 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PLAT P00750 4/20 0.38
C1R P00736 1/20 0.38
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
SCN9A Q15858 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL22979179 1.00 ACP1 (0.39) ACP1MGLLDDB1CRBNPLAT
SCHEMBL22987931 0.97 MKNK1 (0.39) ACP1MGLLDDB1CRBNPLAT
SCHEMBL29648829 0.97 MKNK1 (0.39) ACP1MGLLDDB1CRBNPLAT
SCHEMBL22979222 0.97 MKNK1 (0.39) ACP1MGLLDDB1CRBNPLAT
SCHEMBL29648695 0.97 MKNK1 (0.39) ACP1MGLLDDB1CRBNPLAT
SCHEMBL22988023 0.97 MKNK1 (0.38) ACP1MGLLDDB1CRBNPLAT
SCHEMBL22980841 0.95 PLAT (0.40) ACP1MGLLDDB1CRBNPLAT
SCHEMBL29645644 0.95 PLAT (0.40) ACP1MGLLDDB1CRBNPLAT
SCHEMBL22979040 0.91 MAPT (0.36) ACP1MGLLDDB1CRBNPLAT
SCHEMBL22981140 0.91 MAPT (0.36) ACP1MGLLDDB1CRBNPLAT

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