SCHEMBL30940530

SCHEMBL30940530

[2H]C([2H])([2H])c1cnnc(C(N)=O)c1Nc1ncccc1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.39
JAK1 P23458 2/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
AHR P35869 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PDE4B Q07343 1/20 0.32

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
SCHEMBL30940512 0.92 TYK2 (0.41) TYK2JAK1LMNASMN1; SMN2RAB9A
SCHEMBL30940528 0.78 TYK2 (0.45) TYK2JAK1LMNASMN1; SMN2RAB9A
SCHEMBL30940487 0.77 TYK2 (0.39) TYK2JAK1LMNASMN1; SMN2RAB9A
SCHEMBL21002217 0.73 GRM5 (0.44) LMNASMN1; SMN2RAB9AMAPTNPC1
SCHEMBL30940532 0.73 GRM5 (0.44) LMNASMN1; SMN2RAB9AMAPTNPC1
SCHEMBL30204950 0.70 CCNA2 (0.33) LRRK2
SCHEMBL22290209 0.70 CCNA2 (0.33) LRRK2
SCHEMBL30940517 0.70 TYK2 (0.53) TYK2JAK1LMNAJAK2JAK3
SCHEMBL30940505 0.69 GCK (0.39) TYK2JAK1LMNASMN1; SMN2RAB9A
SCHEMBL29260143 0.69 GCK (0.39) TYK2JAK1LMNASMN1; SMN2RAB9A

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-111315737-B Heteroaryl compounds substituted with sulfone pyridinylalkylamides 百时美施贵宝公司 2024-06-18 CN disclosed