SCHEMBL21976326

SCHEMBL21976326

O=C(c1ccc(NSc2cccc3nccnc23)cc1)N1CCC(O)(CCCC(F)(F)F)CC1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 20/20 0.70

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
SCHEMBL21976320 0.95 PKLR (0.72) PKLR
SCHEMBL21976856 0.91 PKLR (0.71) PKLR
SCHEMBL21976027 0.90 PKLR (0.72) PKLR
SCHEMBL21976384 0.89 PKLR (0.71) PKLR
SCHEMBL21976337 0.88 PKLR (0.60) PKLR
SCHEMBL21976459 0.87 PKLR (0.73) PKLR
SCHEMBL21976558 0.86 PKLR (0.72) PKLR
SCHEMBL21976263 0.86 PKLR (0.71) PKLR
SCHEMBL21976498 0.85 PKLR (0.75) PKLR
SCHEMBL21976283 0.85 PKLR (0.70) PKLR

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
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
Send feedback