SCHEMBL31084052

SCHEMBL31084052

[2H]C([2H])(NC(=O)OC(C)(C)C)C1(Nc2nc(Cl)nc3c2SCC3)CCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.34
▸ FPR3 P25089 2/20 0.30
▸ FPR2 P25090 2/20 0.30

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
SCHEMBL31083978 0.90 STK17B (0.35) STK17BSTK17A
SCHEMBL31083973 0.80 STK17B (0.33) STK17BSTK17A
SCHEMBL31622422 0.78 — —
SCHEMBL30639334 0.76 LATS1 (0.33) —
SCHEMBL31083997 0.72 PDE4B (0.33) —
SCHEMBL30678844 0.70 PDE4B (0.34) —
SCHEMBL29277041 0.70 PDE4B (0.34) —
SCHEMBL12921434 0.70 KDM1A (0.33) STK17BSTK17A
SCHEMBL12921437 0.70 KDM1A (0.33) STK17BSTK17A
SCHEMBL31084051 0.70 STK17B (0.34) STK17BSTK17A

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
EP-4674852-A1 PREPARATION METHOD FOR AND USE OF DIHYDROTHIENOPYRIMIDINE DERIVATIVE Innovstone Therapeutics Limited (CN) 2026-01-07 — — EP disclosed
WO-2024179493-A1 PREPARATION METHOD FOR AND USE OF DIHYDROTHIENOPYRIMIDINE DERIVATIVE 上海翊石医药科技有限公司 2024-09-06 — — WO disclosed
Send feedback