SCHEMBL23958792

SCHEMBL23958792

COc1cc(C(=O)NCC(c2nc(-c3ccc(F)cc3)c(F)c(C(C)(C)O)c2F)C2CC2)cc(/C=C(/C)N)c1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
POLB P06746 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
KMT2A Q03164 1/20 0.32
NAMPT P43490 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 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
SCHEMBL23958703 0.93 CFTR (0.32) CFTRMAPTALDH1A1LMNATP53
SCHEMBL23958782 0.84 CFTR (0.35) CFTRMAPTALDH1A1LMNATP53
SCHEMBL23958775 0.81 ADRA1D (0.36) CFTRMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL23958976 0.81 KDM4E (0.31) CFTRMAPTALDH1A1POLBKDM4E
SCHEMBL23958744 0.81 SCN9A (0.32) MAPTLMNANAMPTKDM4E
SCHEMBL23958802 0.81 CFTR (0.34) CFTRMAPTALDH1A1POLBROCK2
SCHEMBL23958700 0.80 LMNA (0.34) MAPTALDH1A1LMNATP53SMN1; SMN2
SCHEMBL23958812 0.80 CFTR (0.38) CFTRMAPTALDH1A1POLBROCK2
SCHEMBL23958753 0.78 CFTR (0.32) CFTR
SCHEMBL23958779 0.77 MAPT (0.33) MAPTALDH1A1LMNATP53SMN1; SMN2

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed