SCHEMBL25608337

SCHEMBL25608337

N#C[C@]1(c2ccc3c(N)ncnn23)CC[C@@H](COC(=O)Cc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.38
▸ TNK2 Q07912 3/20 0.32
▸ RIPK1 Q13546 4/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31
▸ TMPRSS2 O15393 1/20 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
SCHEMBL24790497 0.88 PIK3CD (0.33) TMPRSS2
SCHEMBL25916120 0.88 MGLL (0.36) MGLLTNK2RIPK1TMPRSS2
SCHEMBL24789794 0.86 PIK3CD (0.34) TMPRSS2
SCHEMBL25608469 0.86 MGLL (0.39) MGLLTNK2RIPK1
SCHEMBL23822912 0.85 TNK2 (0.35) TNK2EGLN2
SCHEMBL29566128 0.85 TMPRSS2 (0.32) RIPK1TMPRSS2
SCHEMBL26399166 0.84 PIK3CD (0.31) —
SCHEMBL27121333 0.84 TMPRSS2 (0.32) TMPRSS2
SCHEMBL24791275 0.83 PIK3CD (0.32) TMPRSS2
SCHEMBL26399191 0.83 AXL (0.32) TMPRSS2

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
WO-2023102472-A1 ANTIVIRAL PRODRUGS AND FORMULATIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-08 — — WO disclosed
Send feedback