SCHEMBL23905647

SCHEMBL23905647

Cc1cc2cc(C(=O)NCC(O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(=O)Nc3ccc(C(F)(F)F)nc3)C(F)(F)F)cc(OC3CC3)c2nn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.33
CYP2C9 P11712 2/20 0.33
MTOR P42345 1/20 0.32
RAF1 P04049 10/20 0.32
BRAF P15056 8/20 0.32
GABRA5 P31644 3/20 0.31
ROCK1 Q13464 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
SCHEMBL23905288 0.89
SCHEMBL23905588 0.88 CFTR (0.31) GABRA5
SCHEMBL23905276 0.88
SCHEMBL23905299 0.85 CFTR (0.31) GABRA5
SCHEMBL23905830 0.85 CFTR (0.31) GABRA5
SCHEMBL23905825 0.85 CFTR (0.31) GABRA5
SCHEMBL24986028 0.85 CFTR (0.32) CYP2C9GABRA5
SCHEMBL24986036 0.85 CFTR (0.32) CYP2C9GABRA5
SCHEMBL23904798 0.84
SCHEMBL23905280 0.84

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