SCHEMBL29645801

SCHEMBL29645801

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.33
IDO1 P14902 1/20 0.33
CRHR1 P34998 5/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
SCN9A Q15858 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
SCHEMBL22979929 1.00 ADORA3 (0.33) ADORA3IDO1CRHR1TP53GAA
SCHEMBL22979194 1.00 ADORA3 (0.33) ADORA3IDO1CRHR1TP53GAA
SCHEMBL29645640 1.00 ADORA3 (0.33) ADORA3IDO1CRHR1TP53GAA
SCHEMBL22979192 1.00 ADORA3 (0.33) ADORA3IDO1CRHR1TP53GAA
SCHEMBL22988401 0.96 POLB (0.36) ADORA3CRHR1TP53GAAADORA2A
SCHEMBL22988400 0.96 POLB (0.36) ADORA3CRHR1TP53GAAADORA2A
SCHEMBL22979333 0.94 ADORA3 (0.33) ADORA3IDO1CRHR1TP53GAA
SCHEMBL22988170 0.94 ADORA3 (0.33) ADORA3IDO1CRHR1TP53GAA
SCHEMBL22979332 0.94 ADORA3 (0.33) ADORA3IDO1CRHR1TP53GAA
SCHEMBL29646086 0.94 ADORA3 (0.33) ADORA3IDO1CRHR1TP53GAA

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