SCHEMBL9476992

SCHEMBL9476992

NC(=O)c1nnn(Cc2c(F)cccc2F)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.53
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
GALR3 O60755 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NR2F2 P24468 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 2/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9857412 0.87 CA5A (0.55) CA5AHPGDSMN1; SMN2GALR3CYP3A4
SCHEMBL9475577 0.84 HPGD (0.52) HPGDSMN1; SMN2GALR3CYP3A4CYP2C9
SCHEMBL10662727 0.84 CA5A (0.52) CA5AHPGDTP53ADORA3ADORA2A
SCHEMBL10666069 0.83 SMN1; SMN2 (0.56) HPGDSMN1; SMN2GALR3CYP3A4CYP2C9
SCHEMBL9475498 0.80 NPC1 (0.59) HPGDSMN1; SMN2GALR3CYP3A4CYP2C9
SCHEMBL9857903 0.79 CA5A (0.46) CA5ATSHRMAPTALDH1A1
SCHEMBL10662709 0.79 CA5A (0.49) CA5AHPGDSMN1; SMN2CYP1A2TP53
SCHEMBL9475525 0.78 POLB (0.62) HPGDSMN1; SMN2GALR3CYP3A4CYP2C9
SCHEMBL11245223 0.78 HPGD (0.80) HPGDSMN1; SMN2GALR3CYP3A4CYP2C9
SCHEMBL461525 0.74 HTT (0.47) CA5AHPGDHTTTP53ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025007697-A1 5-AMINO-1-ALKYL-1H-1,2,3-TRIAZOLE-4-FORMAMIDE COMPOUND, AND PREPARATION AND USE THEREOF 浙江大学 2025-01-09 WO disclosed
CN-116854644-A 5-amino-1-alkyl-1H-1, 2, 3-triazole-4-carboxamide compound, preparation and application thereof 浙江大学 2023-10-10 CN disclosed
US-5204353-A 3-benzyl-3H-1,2,3-triazolo[4,5-d]pyrimidines, compositions thereof, and method of treating epilepsy therewith CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
EP-0288431-B1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed