SCHEMBL29646154

SCHEMBL29646154

CC[C@@H](Nc1nc2c(Br)cccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.33
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
CRHR1 P34998 2/20 0.33
ADORA2B P29275 2/20 0.33
SCN9A Q15858 2/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
PIP4K2A P48426 1/20 0.32
DDR1 Q08345 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
SCHEMBL22988084 1.00 ADORA3 (0.33) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL22979902 1.00 ADORA3 (0.33) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL29646067 1.00 ADORA3 (0.33) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL22979903 1.00 ADORA3 (0.33) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL29645796 0.90 CRHR1 (0.38) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL22979972 0.90 CRHR1 (0.38) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL22979349 0.90 CRHR1 (0.38) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL29646087 0.90 CRHR1 (0.38) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL22979351 0.90 CRHR1 (0.38) ADORA3ADORA2AADORA1CRHR1ADORA2B
SCHEMBL22979372 0.90 ADORA3 (0.34) ADORA3ADORA2AADORA1CRHR1ADORA2B

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