SCHEMBL25857254

SCHEMBL25857254

Cc1cc(Cl)cc(Cn2ccc(Br)cc2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TP53 P04637 4/20 0.42
POLB P06746 1/20 0.42
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DBH P09172 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA2A P29274 2/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL25852152 0.90 DBH (0.41) MAPTTP53POLBMAPK14KDM4E
SCHEMBL20503881 0.83 MAPK14 (0.40) MAPTPOLBMAPK14KDM4EMEN1
SCHEMBL25853280 0.83 TP53 (0.40) MAPTTP53POLBMAPK14DBH
SCHEMBL20504077 0.83 MAPK14 (0.37) MAPTTP53POLBMAPK14KDM4E
SCHEMBL20504056 0.82 MAPK14 (0.40) MAPTTP53MAPK14NPSR1ADORA2A
SCHEMBL20504049 0.80 MAPT (0.39) MAPTTP53POLBMAPK14KDM4E
SCHEMBL20504129 0.80 ADRA1D (0.46) POLBMAPK14KDM4EMEN1KMT2A
SCHEMBL25852107 0.79 EGLN1 (0.54) MAPTTP53POLBMAPK14KDM4E
SCHEMBL20503999 0.79 P2RX3 (0.39) MAPTTP53MAPK14ALDH1A1P2RX7
SCHEMBL20936157 0.77 MAPK14 (0.58) TP53MAPK14KDM4EALDH1A1HTT

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
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 EP disclosed