SCHEMBL29645722

SCHEMBL29645722

O=C1NCCNCC1Nc1nc2cccc(Cl)c2c2nc(-c3ccc(F)cc3)nn12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.37
DGAT2 Q96PD7 1/20 0.35
ADORA2A P29274 4/20 0.34
ADORA1 P30542 4/20 0.34
MAPT P10636 3/20 0.34
XDH P47989 1/20 0.34
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
PRKCI P41743 1/20 0.32
GRIA1 P42261 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL29645934 1.00 ADORA3 (0.37) ADORA3DGAT2ADORA2AADORA1MAPT
SCHEMBL29645526 1.00 ADORA3 (0.37) ADORA3DGAT2ADORA2AADORA1MAPT
SCHEMBL22980999 1.00 ADORA3 (0.37) ADORA3DGAT2ADORA2AADORA1MAPT
SCHEMBL22979466 1.00 ADORA3 (0.37) ADORA3DGAT2ADORA2AADORA1MAPT
SCHEMBL22988284 0.92 ADORA3 (0.37) ADORA3DGAT2ADORA2AADORA1MAPT
SCHEMBL29645978 0.92 ADORA3 (0.37) ADORA3DGAT2ADORA2AADORA1MAPT
SCHEMBL22988343 0.90 XDH (0.34) ADORA3ADORA2AADORA1MAPTXDH
SCHEMBL22979383 0.90 XDH (0.34) ADORA3ADORA2AADORA1MAPTXDH
SCHEMBL29645550 0.90 XDH (0.34) ADORA3ADORA2AADORA1MAPTXDH
SCHEMBL22979905 0.89 MAPT (0.39) ADORA3ADORA2AADORA1MAPTXDH

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
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
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 disclosed