SCHEMBL25852107

SCHEMBL25852107

O=c1cc(Br)ccn1Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.54
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 3/20 0.49
POLB P06746 3/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 3/20 0.48
DBH P09172 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK14 Q16539 1/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
THRB P10828 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL25852271 0.87 KMT2A (0.49) SMN1; SMN2MAPK14MAPK1
SCHEMBL25852152 0.86 DBH (0.41) EGLN1MAPTTP53KDM4ELMNA
SCHEMBL20936157 0.85 MAPK14 (0.58) TP53KDM4EALDH1A1SMN1; SMN2MAPK14
SCHEMBL25852199 0.80 KMT2A (0.47) MAPTLMNAPOLBALDH1A1DBH
SCHEMBL28003373 0.80 EGLN1 (0.61) EGLN1MAPTTP53KDM4ELMNA
SCHEMBL20504077 0.79 MAPK14 (0.37) EGLN1MAPTTP53KDM4ELMNA
SCHEMBL20503881 0.79 MAPK14 (0.40) EGLN1MAPTKDM4ELMNAPOLB
SCHEMBL25857254 0.79 MAPT (0.42) MAPTTP53KDM4ELMNAPOLB
SCHEMBL18764601 0.79 ALDH1A1 (0.55) EGLN1MAPTTP53KDM4ELMNA
SCHEMBL18860569 0.78 EGLN1 (0.53) EGLN1MAPTTP53KDM4ELMNA

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