SCHEMBL30006775

SCHEMBL30006775

CC(C)(O)c1c(F)c(-c2ccc(F)cc2)nc(C(O)(CN)C(F)(F)F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.35
TGFBR1 P36897 2/20 0.31
TNIK Q9UKE5 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
TGFBR2 P37173 1/20 0.31
DPP4 P27487 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
ALOX5 P09917 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 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
SCHEMBL23958729 1.00 CFTR (0.35) CFTRTGFBR1TNIKMAPTMEN1
SCHEMBL23958689 1.00 CFTR (0.35) CFTRTGFBR1TNIKMAPTMEN1
SCHEMBL23958643 1.00 CFTR (0.35) CFTRTGFBR1TNIKMAPTMEN1
SCHEMBL25686878 0.89 CFTR (0.34) CFTRTGFBR1TNIK
SCHEMBL30007480 0.89 CFTR (0.34) CFTRTGFBR1TNIK
SCHEMBL23958742 0.89 CFTR (0.34) CFTRTGFBR1TNIK
SCHEMBL23958695 0.89 CFTR (0.34) CFTRTGFBR1TNIK
SCHEMBL25686730 0.87 CFTR (0.35) CFTRTGFBR1TNIKMAPTMEN1
SCHEMBL23958674 0.86 CFTR (0.34) CFTRTNIKMAPTMEN1KMT2A
SCHEMBL23958631 0.84 CFTR (0.37) CFTRTGFBR1MAPTMEN1KMT2A

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
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN disclosed