SCHEMBL25853646

SCHEMBL25853646

O=c1cc(Br)ccn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ATM Q13315 2/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PTGER3 P43115 1/20 0.46
ACP3 P15309 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
KMT2A Q03164 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 0.84 KMT2A (0.49) SMN1; SMN2CA12CA9KMT2A
SCHEMBL18860635 0.80 MAPT (0.52) MAPTLMNATP53RXFP1ATM
SCHEMBL6169682 0.80 MAPT (0.55) MAPTLMNATP53RXFP1ATM
SCHEMBL20936157 0.79 MAPK14 (0.58) TP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29348750 0.78 MAPT (0.46) MAPTLMNATP53RXFP1ATM
SCHEMBL25852107 0.78 EGLN1 (0.54) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL27383539 0.78 MAPT (0.59) MAPTLMNATP53RXFP1ATM
SCHEMBL20504039 0.76 DAO (0.41) MAPTLMNA
SCHEMBL30424935 0.75 ALDH1A1 (0.50) MAPTLMNATP53RXFP1ATM
SCHEMBL25853598 0.75 L3MBTL1 (0.53) MAPTALDH1A1KDM4EPIK3CAL3MBTL1

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