SCHEMBL23958709

SCHEMBL23958709

CC(C)(O)c1cc(C(CN)C2CC2)nc(-c2ccc(F)c(F)c2)c1F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.31
CSNK1E P49674 1/20 0.31
MAPK1 P28482 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL23958856 0.89 PGR (0.30)
SCHEMBL23958627 0.89 CFTR (0.36)
SCHEMBL23958893 0.88 MAPK1 (0.32) FFAR1MAPK1
SCHEMBL23958778 0.86 DGAT1 (0.33)
SCHEMBL23958741 0.86 TACR3 (0.35) CSNK1E
SCHEMBL23958732 0.78
SCHEMBL23958793 0.77 CFTR (0.35)
SCHEMBL23958704 0.75 CSNK1E (0.31) CSNK1EGRIN2B
SCHEMBL23958871 0.75 CSNK1E (0.31) CSNK1EGRIN2B
SCHEMBL25691128 0.75

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