SCHEMBL29645751

SCHEMBL29645751

O=C1NCC[C@H]1Nc1nc2ccccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
SCN9A Q15858 3/20 0.36
FPR2 P25090 1/20 0.36
HPGDS O60760 1/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
PLAT P00750 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
MGLL Q99685 1/20 0.34
C1R P00736 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADORA2B P29275 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL22980806 1.00 MAPT (0.37) MAPTSCN9AFPR2HPGDSDDB1
SCHEMBL22979138 0.95 MAPT (0.36) MAPTSCN9AFPR2DDB1CRBN
SCHEMBL29645587 0.95 MAPT (0.36) MAPTSCN9AFPR2DDB1CRBN
SCHEMBL22979590 0.95 MKNK1 (0.36) MAPTSCN9AFPR2DDB1CRBN
SCHEMBL29648888 0.95 MKNK1 (0.36) MAPTSCN9AFPR2DDB1CRBN
SCHEMBL22988022 0.95 MKNK1 (0.36) MAPTSCN9AFPR2DDB1CRBN
SCHEMBL29648620 0.95 MKNK1 (0.36) MAPTSCN9AFPR2DDB1CRBN
SCHEMBL29645560 0.94 SCN9A (0.37) MAPTSCN9AFPR2HPGDSDDB1
SCHEMBL22979487 0.94 SCN9A (0.37) MAPTSCN9AFPR2HPGDSDDB1
SCHEMBL22980841 0.90 PLAT (0.40) MAPTSCN9AHPGDSDDB1CRBN

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