SCHEMBL29645529

SCHEMBL29645529

O=C1NCC[C@H]1Nc1nc2c(Br)cccc2c2nc(-c3ccccc3OC(F)(F)F)nn12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAT P00750 4/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SCN9A Q15858 4/20 0.35
MGLL Q99685 2/20 0.34
HPGDS O60760 1/20 0.33
S1PR1 P21453 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
PDE10A Q9Y233 2/20 0.31
PDE2A O00408 1/20 0.31
DHODH Q02127 1/20 0.31
PDE4B Q07343 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
NAMPT P43490 1/20 0.31
C1R P00736 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
SCHEMBL22979910 1.00 PLAT (0.38) PLATDDB1CRBNSCN9AMGLL
SCHEMBL29645983 0.95 DDB1 (0.35) PLATDDB1CRBNSCN9AMGLL
SCHEMBL22978959 0.95 DDB1 (0.35) PLATDDB1CRBNSCN9AMGLL
SCHEMBL22979265 0.94 DDB1 (0.35) PLATDDB1CRBNSCN9AMGLL
SCHEMBL29648750 0.94 DDB1 (0.35) PLATDDB1CRBNSCN9AMGLL
SCHEMBL22987860 0.91 PLAT (0.35) PLATDDB1CRBNSCN9AMGLL
SCHEMBL22980841 0.88 PLAT (0.40) PLATDDB1CRBNSCN9AMGLL
SCHEMBL29645644 0.88 PLAT (0.40) PLATDDB1CRBNSCN9AMGLL
SCHEMBL22980169 0.85 TACR1 (0.32) SCN9A
SCHEMBL22978985 0.85 TACR1 (0.32) SCN9A

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