SCHEMBL29645644

SCHEMBL29645644

O=C1NCC[C@H]1Nc1nc2ccccc2c2nc(-c3ccccc3OC(F)(F)F)nn12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAT P00750 4/20 0.40
MGLL Q99685 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
C1R P00736 1/20 0.39
SCN9A Q15858 2/20 0.37
HPGDS O60760 1/20 0.37
ACP1 P24666 1/20 0.36
MAPT P10636 5/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR1 Q9BXC0 1/20 0.35
POLB P06746 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 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
SCHEMBL22980841 1.00 PLAT (0.40) PLATMGLLDDB1CRBNC1R
SCHEMBL22979179 0.95 ACP1 (0.39) PLATMGLLDDB1CRBNC1R
SCHEMBL29645707 0.95 ACP1 (0.39) PLATMGLLDDB1CRBNC1R
SCHEMBL29648695 0.94 MKNK1 (0.39) PLATMGLLDDB1CRBNC1R
SCHEMBL29648829 0.94 MKNK1 (0.39) PLATMGLLDDB1CRBNC1R
SCHEMBL22979222 0.94 MKNK1 (0.39) PLATMGLLDDB1CRBNC1R
SCHEMBL22987931 0.94 MKNK1 (0.39) PLATMGLLDDB1CRBNC1R
SCHEMBL22988023 0.93 MKNK1 (0.38) PLATMGLLDDB1CRBNC1R
SCHEMBL22979487 0.91 SCN9A (0.37) PLATMGLLDDB1CRBNSCN9A
SCHEMBL29645560 0.91 SCN9A (0.37) PLATMGLLDDB1CRBNSCN9A

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 2 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
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