SCHEMBL16619646

SCHEMBL16619646

Cc1cc2c(NC(C)c3ccccc3)c(N)cnc2cc1Br

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.45
PRKDC P78527 3/20 0.45
TNF P01375 2/20 0.41
KRAS P01116 2/20 0.39
SOS1 Q07889 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
NUDT1 P36639 1/20 0.37
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
PLK1 P53350 1/20 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
SCHEMBL16619642 1.00 EGFR (0.45) EGFRPRKDCTNFKRASSOS1
SCHEMBL16618743 0.85 EGFR (0.51) EGFRPRKDCKRASSOS1ALDH1A1
SCHEMBL16618740 0.85 EGFR (0.51) EGFRPRKDCKRASSOS1ALDH1A1
SCHEMBL16619776 0.84 KDM4E (0.47) EGFRPRKDCTNFLDHALDHB
SCHEMBL16619217 0.83 ALDH1A1 (0.49) EGFRPRKDCTNFALDH1A1GAA
SCHEMBL16619219 0.83 ALDH1A1 (0.49) EGFRPRKDCTNFALDH1A1GAA
SCHEMBL16618978 0.82 PRKDC (0.41) EGFRPRKDCTNFLDHALDHB
SCHEMBL16618852 0.81 EGFR (0.42) EGFRPRKDCTNFKRASSOS1
SCHEMBL16618856 0.81 EGFR (0.42) EGFRPRKDCTNFKRASSOS1
SCHEMBL16619487 0.80 EGFR (0.39) EGFRPRKDCTNFLDHALDHB

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