SCHEMBL25453062

SCHEMBL25453062

CN(c1ccc(Cl)cc1)c1cc(N)ccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
CHKA P35790 4/20 0.39
RXRA P19793 1/20 0.39
EGFR P00533 3/20 0.37
CSF1R P07333 3/20 0.37
PARP1 P09874 1/20 0.35
KDR P35968 1/20 0.35
GRM5 P41594 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NR4A2 P43354 2/20 0.34
SOS2 Q07890 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
SCHEMBL4667357 0.88 ALDH1A1 (0.43) KCNH2SCN5ASCN9AEGFRKDR
SCHEMBL25453064 0.83 GRIA1 (0.37) KCNH2SCN5ASCN9AEGFRGRM5
SCHEMBL25453079 0.83 EGFR (0.48) CHKARXRAEGFRCSF1RKDR
SCHEMBL30502771 0.83 EGFR (0.46) CHKARXRAEGFRCSF1RKDR
SCHEMBL25453063 0.83 EGFR (0.46) CHKARXRAEGFRCSF1RKDR
SCHEMBL3658312 0.74 ADORA2A (0.44) LMNAMAPTALOX15TSHR
SCHEMBL28358475 0.74 CYP2D6 (0.51) KCNH2SCN5ASCN9ACHKAKDR
SCHEMBL25175471 0.73 ALDH1A1 (0.47) KCNH2EGFRKDRGRM5LMNA
SCHEMBL22453198 0.72 ALDH1A1 (0.54) KCNH2SCN5ASCN9ACHKALMNA
SCHEMBL4731660 0.70 KCNH2 (0.40) KCNH2SCN5ASCN9ARXRAPARP1

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-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 WO disclosed