SCHEMBL23905272

SCHEMBL23905272

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

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.31

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
SCHEMBL23905343 1.00 IP6K1 (0.31) IP6K1
SCHEMBL23904772 0.91 AR (0.33)
SCHEMBL25116312 0.89 IP6K1 (0.31) IP6K1
SCHEMBL25116376 0.89 IP6K1 (0.31) IP6K1
SCHEMBL26527286 0.87 IP6K1 (0.32) IP6K1
SCHEMBL24984881 0.87 PIK3CA (0.32) IP6K1
SCHEMBL24984882 0.87 PIK3CA (0.32) IP6K1
SCHEMBL25116475 0.87 IP6K1 (0.32) IP6K1
SCHEMBL23905261 0.87 PIK3CA (0.32) IP6K1
SCHEMBL25116469 0.87 IP6K1 (0.32) IP6K1

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