SCHEMBL29645856

SCHEMBL29645856

O=C1NCCNC[C@@H]1Nc1nc2cccc(Br)c2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
PLAT P00750 2/20 0.33
AMY1A P0DUB6 1/20 0.33
CHEK1 O14757 1/20 0.32
PDE10A Q9Y233 1/20 0.32
LMNA P02545 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CSNK1D P48730 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
TP53 P04637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL22988344 1.00 MAPT (0.34) MAPTPLATAMY1ACHEK1PDE10A
SCHEMBL29645550 0.92 XDH (0.34) MAPTRXFP1
SCHEMBL22979383 0.92 XDH (0.34) MAPTRXFP1
SCHEMBL22988343 0.92 XDH (0.34) MAPTRXFP1
SCHEMBL29645978 0.90 ADORA3 (0.37) MAPTPLATCHEK1PDE10ALMNA
SCHEMBL22988284 0.90 ADORA3 (0.37) MAPTPLATCHEK1PDE10ALMNA
SCHEMBL22979634 0.89 PLAT (0.34) MAPTPLATCHEK1PDE10ALMNA
SCHEMBL22979365 0.89 PLAT (0.34) MAPTPLATCHEK1PDE10ALMNA
SCHEMBL22979519 0.89 PLAT (0.34) MAPTPLATCHEK1PDE10ALMNA
SCHEMBL29646017 0.89 PLAT (0.34) MAPTPLATCHEK1PDE10ALMNA

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
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