SCHEMBL16618978

SCHEMBL16618978

CC(Nc1c(N)cnc2cc(Br)c(CC(=O)O)cc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.41
EGFR P00533 2/20 0.41
TNF P01375 2/20 0.39
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ASPH Q12797 2/20 0.38
KDM8 Q8N371 2/20 0.38
RIOX2 Q8IUF8 1/20 0.37
LDHB P07195 5/20 0.37
LDHA P00338 4/20 0.37
LRRK2 Q5S007 2/20 0.37
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CG P48736 2/20 0.36
ATM Q13315 2/20 0.36
ATR Q13535 2/20 0.36

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
SCHEMBL16619487 0.90 EGFR (0.39) PRKDCEGFRTNFHDAC3HDAC1
SCHEMBL16618793 0.86 ALDH1A1 (0.40) KDM4EASPHKDM8RIOX2
SCHEMBL16618796 0.86 ALDH1A1 (0.40) KDM4EASPHKDM8RIOX2
SCHEMBL16619383 0.85 PARP1 (0.43) PRKDCEGFR
SCHEMBL16619776 0.84 KDM4E (0.47) PRKDCEGFRTNFHDAC3HDAC1
SCHEMBL16619642 0.82 EGFR (0.45) PRKDCEGFRTNFLDHBLDHA
SCHEMBL16619646 0.82 EGFR (0.45) PRKDCEGFRTNFLDHBLDHA
SCHEMBL16619179 0.81 EGFR (0.45) PRKDCEGFRTNFPIK3CAPIK3CB
SCHEMBL16619177 0.81 EGFR (0.45) PRKDCEGFRTNFPIK3CAPIK3CB
SCHEMBL16618740 0.79 EGFR (0.51) PRKDCEGFRHDAC3HDAC1HDAC2

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