SCHEMBL29645450

SCHEMBL29645450

O=C1NCCC[C@H]1Nc1nc2ccccc2c2nc(-c3cc(Cl)ccc3OC(F)(F)F)nn12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
SCN9A Q15858 2/20 0.35
FPR2 P25090 1/20 0.35
ACP1 P24666 1/20 0.34
MGLL Q99685 1/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
TP53 P04637 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
PLAT P00750 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
S1PR2 O95136 1/20 0.33

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
SCHEMBL22979398 1.00 MAPT (0.35) MAPTSCN9AFPR2ACP1MGLL
SCHEMBL22979155 0.98 MKNK1 (0.35) MAPTSCN9AFPR2ACP1MGLL
SCHEMBL29648646 0.98 MKNK1 (0.35) MAPTSCN9AFPR2ACP1MGLL
SCHEMBL22979255 0.98 MKNK1 (0.35) MAPTSCN9AFPR2ACP1MGLL
SCHEMBL29648688 0.98 MKNK1 (0.35) MAPTSCN9AFPR2ACP1MGLL
SCHEMBL22979487 0.95 SCN9A (0.37) MAPTSCN9AFPR2MGLLHCRTR1
SCHEMBL29645560 0.95 SCN9A (0.37) MAPTSCN9AFPR2MGLLHCRTR1
SCHEMBL22979138 0.95 MAPT (0.36) MAPTSCN9AFPR2ACP1MGLL
SCHEMBL29645587 0.95 MAPT (0.36) MAPTSCN9AFPR2ACP1MGLL
SCHEMBL22979590 0.92 MKNK1 (0.36) MAPTSCN9AFPR2MGLLHCRTR1

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