SCHEMBL8580366

SCHEMBL8580366

Cc1c(N)ccc2scnc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PIK3CA P42336 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RPS6KA3 P51812 1/20 0.33
DYRK1A Q13627 1/20 0.32
PDPK1 O15530 1/20 0.31

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
SCHEMBL7458773 0.79 ALDH1A1 (0.35) ALDH1A1HSD17B10
SCHEMBL21712222 0.79 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1193025 0.76 PI4KA (0.34) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL5544035 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL30002773 0.76 MAPT (0.41) ALDH1A1HSD17B10
SCHEMBL30904069 0.76 PI4KA (0.34) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL6129371 0.76 MAPT (0.41) ALDH1A1HSD17B10
SCHEMBL22026196 0.76 PI4KA (0.34) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL5544044 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL30949588 0.76 PI4KA (0.34) CYP3A4TSHRPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022012622-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed
WO-2020132384-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION (US) 2020-06-25 WO disclosed
WO-1998023612-A1 2-IMIDAZOLINYLAMINOBENZOTHIAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed