SCHEMBL29645978

SCHEMBL29645978

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MAPT P10636 4/20 0.34
PLAT P00750 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
CDK9 P50750 2/20 0.33
THRB P10828 1/20 0.33
CCNT1 O60563 1/20 0.33
CHEK1 O14757 1/20 0.32
PDE10A Q9Y233 1/20 0.32
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.32
XDH P47989 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
SCHEMBL22988284 1.00 ADORA3 (0.37) ADORA3ADORA2AADORA1MAPTPLAT
SCHEMBL29645934 0.92 ADORA3 (0.37) ADORA3ADORA2AADORA1MAPTDGAT2
SCHEMBL22980999 0.92 ADORA3 (0.37) ADORA3ADORA2AADORA1MAPTDGAT2
SCHEMBL22979466 0.92 ADORA3 (0.37) ADORA3ADORA2AADORA1MAPTDGAT2
SCHEMBL29645526 0.92 ADORA3 (0.37) ADORA3ADORA2AADORA1MAPTDGAT2
SCHEMBL29645722 0.92 ADORA3 (0.37) ADORA3ADORA2AADORA1MAPTDGAT2
SCHEMBL22988344 0.90 MAPT (0.34) MAPTPLATCHEK1PDE10ALMNA
SCHEMBL29645856 0.90 MAPT (0.34) MAPTPLATCHEK1PDE10ALMNA
SCHEMBL22979365 0.89 PLAT (0.34) MAPTPLATCHEK1PDE10ALMNA
SCHEMBL22979634 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