SCHEMBL31474375

SCHEMBL31474375

Cn1nnc2c(N)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.48
KEAP1 Q14145 1/20 0.48
TLR8 Q9NR97 1/20 0.41
KDM4E B2RXH2 5/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
GRM2 Q14416 4/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTR3A P46098 1/20 0.36
ELANE P08246 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FBP1 P09467 1/20 0.35
CYP3A4 P08684 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL4635179 1.00 SLC9A1 (0.48) SLC9A1KEAP1TLR8KDM4ELMNA
SCHEMBL30036706 0.78 SLC9A1 (0.50) SLC9A1KEAP1TLR8KDM4ELMNA
SCHEMBL256210 0.78 SLC9A1 (0.50) SLC9A1KEAP1TLR8KDM4ELMNA
SCHEMBL3806194 0.78 CYP3A4 (0.50) TLR8KDM4ETSHRGRM2HSD17B10
SCHEMBL19008532 0.77 SLC9A1 (0.46) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL9534063 0.76 SLC9A1 (0.39) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL1965207 0.76 SLC9A1 (0.48) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL30929215 0.76 GRM2 (0.62) SLC9A1KEAP1GRM2
SCHEMBL10734042 0.76 SLC9A1 (0.48) SLC9A1KEAP1TLR8KDM4ELMNA
SCHEMBL564689 0.76 POLB (0.48) TLR8KDM4ELMNATSHRGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119604512-A TYK2 inhibitor and application thereof 阿鲁米斯股份有限公司 2025-03-11 CN disclosed