SCHEMBL23958780

SCHEMBL23958780

Cc1ccc(-c2nc(C(CN)C(F)(F)F)cc(C(C)(C)C)c2F)cc1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
MPL P40238 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
SCHEMBL23958876 0.79 CFTR (0.33) AAK1
SCHEMBL23958867 0.78 CFTR (0.32)
SCHEMBL23958763 0.78 CFTR (0.40) AAK1ALDH1A1LMNAMAPTMAPK1
SCHEMBL23958626 0.78 CFTR (0.40) AAK1ALDH1A1LMNAMAPTMAPK1
SCHEMBL23958681 0.76 CFTR (0.32) AAK1
SCHEMBL23958688 0.76 CFTR (0.32) AAK1
SCHEMBL23958682 0.75 XDH (0.34) AAK1MEN1ALDH1A1KMT2A
SCHEMBL23958714 0.71 CFTR (0.40) AAK1ALDH1A1LMNAMAPTMAPK1
SCHEMBL23958593 0.69 CFTR (0.39) AAK1
SCHEMBL4408689 0.61 MAPT (0.45) MEN1ALDH1A1LMNAMAPTMAPK1

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