SCHEMBL29648549

SCHEMBL29648549

O=C1NCCCC[C@H]1Nc1nc2cccc(Br)c2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
GRIA1 P42261 1/20 0.34
MAPT P10636 1/20 0.34
PLAT P00750 2/20 0.33
FYN P06241 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
AMY1A P0DUB6 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHEK1 O14757 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GRM5 P41594 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL22979915 1.00 KDM4E (0.39) KDM4EADORA1ADORA2AMKNK1MKNK2
SCHEMBL22979154 0.92 ADORA2A (0.41) KDM4EADORA1ADORA2AMKNK1MKNK2
SCHEMBL29648840 0.92 ADORA2A (0.41) KDM4EADORA1ADORA2AMKNK1MKNK2
SCHEMBL29648759 0.90 KDM4E (0.39) KDM4EADORA1ADORA2AMKNK1MKNK2
SCHEMBL22979344 0.90 KDM4E (0.39) KDM4EADORA1ADORA2AMKNK1MKNK2
SCHEMBL22979322 0.90 KDM4E (0.39) KDM4EADORA1ADORA2AMKNK1MKNK2
SCHEMBL31149867 0.90 KDM4E (0.39) KDM4EADORA1ADORA2AMKNK1MKNK2
SCHEMBL22979859 0.89 KDM4E (0.38) KDM4EADORA1ADORA2AMKNK1MKNK2
SCHEMBL29648627 0.89 KDM4E (0.38) KDM4EADORA1ADORA2AMKNK1MKNK2
SCHEMBL22988344 0.88 MAPT (0.34) KDM4EMAPTPLATCYP1A2CYP3A4

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