SCHEMBL25671111

SCHEMBL25671111

CCn1ccc2scc(N)c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL27199309 0.98 TSHR (0.35) TSHRPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL25671107 0.82 TSHR (0.37) TSHRPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL25671028 0.78 AURKA (0.33) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
Hydrochloric Acid SCHEMBL27199544 0.77 AURKA (0.32) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL27199404 0.74 TSHR (0.34) TSHRPKMKDM4EALDH1A1MAPK1
SCHEMBL22146201 0.71 PKM (0.45) TSHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3188011 0.70 KDM4E (0.39) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL22146202 0.69 PKM (0.51) TSHRPKMALDH1A1
Hydrochloric Acid SCHEMBL27199553 0.69 GAA (0.39) KDM4EALDH1A1MAPK1
SCHEMBL25754662 0.69 TSHR (0.32) TSHR

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
WO-2023109120-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed
WO-2023108536-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed