SCHEMBL25852152

SCHEMBL25852152

O=c1cc(Br)ccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.41
MAPK14 Q16539 2/20 0.41
EGLN1 Q9GZT9 2/20 0.37
ADORA2A P29274 1/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
VEGFA P15692 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL20503881 0.90 MAPK14 (0.40) DBHMAPK14EGLN1ADORA2AMAPT
SCHEMBL20504077 0.90 MAPK14 (0.37) DBHMAPK14EGLN1ADORA2AMAPT
SCHEMBL25857254 0.90 MAPT (0.42) DBHMAPK14ADORA2AMAPTTP53
SCHEMBL20504056 0.86 MAPK14 (0.40) MAPK14ADORA2AMAPTTP53EGFR
SCHEMBL20504129 0.86 ADRA1D (0.46) MAPK14ADORA2APOLBKMT2AL3MBTL1
SCHEMBL25852107 0.86 EGLN1 (0.54) DBHMAPK14EGLN1MAPTTHRB
SCHEMBL20936157 0.83 MAPK14 (0.58) MAPK14ADORA2ATP53FLT1KDR
SCHEMBL20503999 0.83 P2RX3 (0.39) MAPK14MAPTTP53
SCHEMBL20504128 0.82 MAPK14 (0.40) MAPK14
SCHEMBL25852271 0.81 KMT2A (0.49) MAPK14ADORA2AHPGDKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023135233-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 WO disclosed
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 EP disclosed