SCHEMBL30007279

SCHEMBL30007279

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 2/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK10 P53779 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRAF P15056 1/20 0.35
CDK8 P49336 1/20 0.35
CDK5 Q00535 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
DHPS P49366 1/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
FAAH O00519 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL23958637 1.00 SLC34A1 (0.35) SLC34A1MAPK14MAPK10MEN1KMT2A
SCHEMBL23930104 0.89 SLC34A1 (0.37) SLC34A1MAPK14MAPK10BRAFCDK8
SCHEMBL30007400 0.89 SLC34A1 (0.37) SLC34A1MAPK14MAPK10BRAFCDK8
SCHEMBL23958967 0.89 CDK8 (0.41) MEN1KMT2ACDK8CDK5CLK4
SCHEMBL30007134 0.88 SLC34A1 (0.36) SLC34A1MAPK14BRAFKDM5BCYP11B1
SCHEMBL25686851 0.88 SLC34A1 (0.36) SLC34A1MAPK14BRAFKDM5BCYP11B1
SCHEMBL25686724 0.84 SCN9A (0.35) MAPK14BRAFPTGDR2CNR2FAAH
SCHEMBL25236947 0.79 ALDH1A1 (0.39) PTGDR2ALDH1A1PKMDHODH
SCHEMBL23958731 0.79 L3MBTL1 (0.43) SLC34A1MEN1KMT2ACDK8CDK5
SCHEMBL25423458 0.77 CFTR (0.37) MAPK14MEN1KMT2ABRAFPTGDR2

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