SCHEMBL23904699

SCHEMBL23904699

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C#N)CF)C(F)(F)F)cc2cc(C(F)(F)F)cnc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.32
BRAF P15056 4/20 0.32
CFTR P13569 3/20 0.31
ADCY8 P40145 1/20 0.31
ADCY1 Q08828 1/20 0.31
GABRA5 P31644 3/20 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
SCHEMBL23905726 0.93 BACE1 (0.32) CFTRGABRA5
SCHEMBL23905522 0.91 CFTR (0.33) RAF1BRAFCFTRADCY8ADCY1
SCHEMBL25114637 0.89 CFTR (0.34) RAF1BRAFCFTRADCY8ADCY1
SCHEMBL25114635 0.89 CFTR (0.34) RAF1BRAFCFTRADCY8ADCY1
SCHEMBL25115027 0.89 CFTR (0.34) RAF1BRAFCFTRADCY8ADCY1
SCHEMBL25115078 0.89 CFTR (0.34) RAF1BRAFCFTRADCY8ADCY1
SCHEMBL23905278 0.87 CFTR (0.34) RAF1BRAFCFTRADCY8ADCY1
SCHEMBL24986244 0.87 CFTR (0.34) RAF1BRAFCFTRADCY8ADCY1
SCHEMBL24986247 0.87 CFTR (0.34) RAF1BRAFCFTRADCY8ADCY1
SCHEMBL26545544 0.87 CFTR (0.34) RAF1BRAFCFTRADCY8ADCY1

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