SCHEMBL24569887

SCHEMBL24569887

CNc1ccc(Br)cc1N=N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.37
▸ STAT3 P40763 4/20 0.32
▸ APP P05067 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL25957468 0.80 SIGMAR1 (0.37) SIGMAR1STAT3APPALDH1A1MEN1
SCHEMBL13879940 0.80 SIGMAR1 (0.37) SIGMAR1STAT3APPALDH1A1MEN1
SCHEMBL8000704 0.78 HPGD (0.37) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL12190764 0.73 APP (0.37) SIGMAR1STAT3APPALDH1A1MEN1
SCHEMBL29661787 0.72 APP (0.46) SIGMAR1STAT3APPALDH1A1MEN1
SCHEMBL12301896 0.72 APP (0.46) SIGMAR1STAT3APPALDH1A1MEN1
SCHEMBL12740474 0.70 POLB (0.43) SIGMAR1APPALDH1A1MEN1KMT2A
SCHEMBL4611466 0.70 SIGMAR1 (0.49) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL18463381 0.69 SIGMAR1 (0.33) SIGMAR1
SCHEMBL956895 0.68 PRKCI (0.50) SIGMAR1ALDH1A1MEN1KMT2AKDM4E

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
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 — — WO disclosed
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