SCHEMBL23905733

SCHEMBL23905733

C[C@]1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3ncc(Cl)cc3c1)C(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.30
IP6K1 Q92551 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
SCHEMBL23904758 1.00 PIK3CA (0.32) PIK3CAIRAK4IP6K1
SCHEMBL23905772 0.95 GABRA5 (0.30) IRAK4
SCHEMBL24987350 0.92 PIK3CA (0.32) PIK3CAIP6K1
SCHEMBL24984881 0.92 PIK3CA (0.32) PIK3CAIP6K1
SCHEMBL24984882 0.92 PIK3CA (0.32) PIK3CAIP6K1
SCHEMBL23905261 0.92 PIK3CA (0.32) PIK3CAIP6K1
SCHEMBL24986477 0.92 PIK3CA (0.32) PIK3CAIP6K1
SCHEMBL23905301 0.90 IP6K1 (0.31) PIK3CAIRAK4IP6K1
SCHEMBL23905328 0.88 CTSA (0.31) PIK3CA
SCHEMBL23905259 0.86 GABRA5 (0.32)

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed