SCHEMBL23905522

SCHEMBL23905522

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
ADCY8 P40145 1/20 0.32
ADCY1 Q08828 1/20 0.32
GABRA5 P31644 5/20 0.32

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
SCHEMBL23905348 0.93 GABRA5 (0.32) CFTRGABRA5
SCHEMBL23904699 0.91 RAF1 (0.32) CFTRRAF1BRAFADCY8ADCY1
SCHEMBL23905278 0.89 CFTR (0.34) CFTRRAF1BRAFADCY8ADCY1
SCHEMBL24986247 0.89 CFTR (0.34) CFTRRAF1BRAFADCY8ADCY1
SCHEMBL24986244 0.89 CFTR (0.34) CFTRRAF1BRAFADCY8ADCY1
SCHEMBL23905394 0.88 CFTR (0.32) CFTR
SCHEMBL26545544 0.88 CFTR (0.34) CFTRRAF1BRAFADCY8ADCY1
SCHEMBL23905710 0.88 POLB (0.34)
SCHEMBL25114637 0.88 CFTR (0.34) CFTRRAF1BRAFADCY8ADCY1
SCHEMBL25115078 0.88 CFTR (0.34) CFTRRAF1BRAFADCY8ADCY1

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