SCHEMBL16618967

SCHEMBL16618967

N#CCCCOc1cc2c(O)ccnc2cc1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.34
KCNA3 P22001 2/20 0.32
KCNA5 P22460 2/20 0.32
PTGES O14684 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
F2 P00734 1/20 0.31
PLAU P00749 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT1 P17948 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
SCHEMBL16619722 0.85 SLC22A12 (0.35)
SCHEMBL16619769 0.80 FGFR1 (0.45) FGFR1FLT1
SCHEMBL14756275 0.75 EGFR (0.45)
SCHEMBL16619235 0.73 CTSB (0.32)
SCHEMBL30878050 0.71 CGAS (0.35) KDM5A
SCHEMBL21404361 0.71 CGAS (0.35) KDM5A
SCHEMBL16618907 0.70 ENPP1 (0.31) ENPP1
SCHEMBL12496270 0.69 EGFR (0.45)
SCHEMBL5052304 0.68 FGFR1 (0.54) FGFR1FLT1
SCHEMBL16247960 0.67 SLC22A12 (0.56) KDM5AKDM5B

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-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed