SCHEMBL25852199

SCHEMBL25852199

O=c1cc(Br)ccn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
DBH P09172 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDR P35968 1/20 0.46
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
GAA P10253 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL20504039 0.83 DAO (0.41) MAPK1KDRLMNAMAPT
SCHEMBL25852152 0.81 DBH (0.41) KMT2ADBHKDRLMNAPOLB
SCHEMBL20936157 0.80 MAPK14 (0.58) KDRHTTSMN1; SMN2NPC1CYP2D6
SCHEMBL25852107 0.80 EGLN1 (0.54) DBHMAPK1HTTSMN1; SMN2LMNA
SCHEMBL25852271 0.79 KMT2A (0.49) KMT2AMAPK1SMN1; SMN2MEN1
SCHEMBL18860580 0.78 DBH (0.43) KMT2ADBHMAPK1HTTSMN1; SMN2
SCHEMBL20503971 0.77 FLT1 (0.48) KMT2AKDRSMN1; SMN2GAACYP1A2
SCHEMBL25857107 0.77 TP53 (0.37) KMT2ADBHMEN1POLBMAPT
SCHEMBL20503881 0.75 MAPK14 (0.40) KMT2ADBHHTTSMN1; SMN2LMNA
SCHEMBL20504077 0.75 MAPK14 (0.37) KMT2ADBHKDRHTTSMN1; SMN2

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