SCHEMBL23905261

SCHEMBL23905261

CC1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.32
IP6K1 Q92551 1/20 0.31
GABRA5 P31644 2/20 0.31
CFTR P13569 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
SCHEMBL24984882 1.00 PIK3CA (0.32) PIK3CAIP6K1GABRA5CFTR
SCHEMBL24984881 1.00 PIK3CA (0.32) PIK3CAIP6K1GABRA5CFTR
SCHEMBL23905259 0.95 GABRA5 (0.32) GABRA5CFTR
SCHEMBL23905265 0.94 IP6K1 (0.31) IP6K1
SCHEMBL24987242 0.94 GABRA5 (0.32) PIK3CAGABRA5CFTR
SCHEMBL24988224 0.94 GABRA5 (0.32) PIK3CAGABRA5CFTR
SCHEMBL23905251 0.94 GABRA5 (0.32) PIK3CAGABRA5CFTR
SCHEMBL24987619 0.93 CFTR (0.32) GABRA5CFTR
SCHEMBL24988130 0.93 CFTR (0.32) GABRA5CFTR
SCHEMBL23905244 0.93 CFTR (0.32) GABRA5CFTR

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