SCHEMBL21976631

SCHEMBL21976631

O=C(c1ccc(NSc2cccc3cccnc23)cc1)N1CCC(O)(Cc2cccnn2)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
SCHEMBL21976095 0.89 PKLR (0.70) PKLR
SCHEMBL21976451 0.87 PKLR (0.70) PKLR
SCHEMBL21976611 0.87 PKLR (0.59) PKLR
SCHEMBL21976820 0.86 PKLR (0.67) PKLR
SCHEMBL21976594 0.85 PKLR (0.60) PKLR
SCHEMBL21976710 0.85 PKLR (0.68) PKLR
SCHEMBL21976622 0.85 PKLR (0.70) PKLR
SCHEMBL21976228 0.84 PKLR (0.68) PKLR
SCHEMBL21975966 0.84 PKLR (0.58) PKLR
SCHEMBL21976464 0.84 PKLR (0.67) 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
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