SCHEMBL16619722

SCHEMBL16619722

N#CCOc1cc2c(O)ccnc2cc1Br

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.35
CSNK2A1 P68400 1/20 0.31
ABCB1 P08183 1/20 0.30
JAK3 P52333 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
EGFR P00533 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
SCHEMBL16618967 0.85 ENPP1 (0.34)
SCHEMBL14756275 0.78 EGFR (0.45) ABCB1JAK3ABCG2EGFR
SCHEMBL16619769 0.78 FGFR1 (0.45) EGFR
SCHEMBL30878050 0.74 CGAS (0.35) ABCB1JAK3ABCG2EGFR
SCHEMBL21404361 0.74 CGAS (0.35) ABCB1JAK3ABCG2EGFR
SCHEMBL12496270 0.72 EGFR (0.45) ABCB1JAK3ABCG2EGFR
SCHEMBL16618814 0.71 CTSB (0.33) EGFR
SCHEMBL15009950 0.69 TLR8 (0.41)
SCHEMBL21050938 0.69 KMT2A (0.39) EGFR
SCHEMBL15010142 0.69 KDM4E (0.35) SLC22A12JAK3EGFR

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