SCHEMBL27583264

SCHEMBL27583264

COC(=O)C(F)c1c[nH]c2c(O)ccnc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KMT2A Q03164 1/20 0.30
MAP2K1 Q02750 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
SCHEMBL27577034 0.87 KDM5A (0.42) KDM5AKDM4CL3MBTL1KMT2AMAP2K1
SCHEMBL27583266 0.77 MAP2K1 (0.39) KDM4EKMT2AMAP2K1
SCHEMBL27583279 0.75 DYRK1A (0.35) KDM5AKDM4CMAP2K1
SCHEMBL7063133 0.71 KDM5A (0.38) KDM5AKDM4CKDM4EL3MBTL1MAP2K1
SCHEMBL27563134 0.70 MAP2K1 (0.56) KMT2AMAP2K1
SCHEMBL27583263 0.69 PNP (0.34) CA12CA1CA2CA9
SCHEMBL27671426 0.67 MAPK1 (0.35) KDM4EL3MBTL1KMT2A
SCHEMBL27563151 0.67 DYRK1A (0.40) KDM5A
SCHEMBL27583278 0.67 NR4A2 (0.39)
SCHEMBL29951570 0.66 CCR1 (0.43) KDM5AKDM4CKDM4EL3MBTL1KMT2A

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-1404392-A Antiviral azaindole derivatives BRISTOL MYERS SQUIBB CO (US) 2003-03-19 CN disclosed