SCHEMBL23905278

SCHEMBL23905278

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)C(N)=O)C(F)(F)F)cc2cc(C(F)(F)F)cnc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.34
GABRA5 P31644 5/20 0.32
RAF1 P04049 4/20 0.32
BRAF P15056 4/20 0.32
ADCY8 P40145 1/20 0.31
ADCY1 Q08828 1/20 0.31
PDE4B Q07343 2/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL24986244 1.00 CFTR (0.34) CFTRGABRA5RAF1BRAFADCY8
SCHEMBL24986247 1.00 CFTR (0.34) CFTRGABRA5RAF1BRAFADCY8
SCHEMBL25114706 0.94 RHOC (0.33) GABRA5RAF1BRAFPDE4B
SCHEMBL25114699 0.94 RHOC (0.33) GABRA5RAF1BRAFPDE4B
SCHEMBL24985910 0.94 CFTR (0.33) CFTRGABRA5PDE4BPOLBKMT2A
SCHEMBL24985908 0.94 CFTR (0.33) CFTRGABRA5PDE4BPOLBKMT2A
SCHEMBL25114668 0.94 GABRA5 (0.34) GABRA5PDE4B
SCHEMBL25116822 0.94 GABRA5 (0.34) GABRA5PDE4B
SCHEMBL24986117 0.93 GABRA5 (0.34) CFTRGABRA5POLBKMT2A
SCHEMBL24986121 0.93 GABRA5 (0.34) CFTRGABRA5POLBKMT2A

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