SCHEMBL27346396

SCHEMBL27346396

C=Cc1cc(-c2ccc3c(c2)Oc2cc(-c4cnc5[nH]ncc5c4)ccc2N3CCN2CCOCC2)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
EGFR P00533 2/20 0.36
CD274 Q9NZQ7 1/20 0.36
MAP4K4 O95819 1/20 0.36
ERBB2 P04626 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1D P48730 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
SLK Q9H2G2 1/20 0.36
PIK3CA P42336 2/20 0.35
TNIK Q9UKE5 2/20 0.35
LRRK2 Q5S007 1/20 0.34
KIT P10721 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 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
SCHEMBL30869745 0.89 PDE10A (0.45) PDE10AEGFRCD274MAP4K4ERBB2
SCHEMBL30869456 0.78 EGFR (0.53) EGFRMAP4K4ERBB2MAPK9CSNK1D
SCHEMBL30869758 0.77 KDM1A (0.47) PDE10AEGFRCD274MAP4K4ERBB2
SCHEMBL30869841 0.77 PDE10A (0.37) PDE10ACD274MAP4K4MAPK9CSNK1D
SCHEMBL30869734 0.73 EGFR (0.55) EGFRMAP4K4ERBB2MAPK9CSNK1D
SCHEMBL30869573 0.73 EGFR (0.53) EGFRMAP4K4ERBB2MAPK9CSNK1D
SCHEMBL30869570 0.72 EGFR (0.52) EGFRMAP4K4ERBB2MAPK9CSNK1D
SCHEMBL30869552 0.72 EGFR (0.52) EGFRMAP4K4ERBB2MAPK9CSNK1D
SCHEMBL30869414 0.72 EGFR (0.50) EGFRMAP4K4ERBB2MAPK9CSNK1D
SCHEMBL30869877 0.72 PIK3CD (0.48) CSNK1DPIK3CATNIKTGFBR1ACVR1

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-2024054661-A2 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES (US) 2024-03-14 WO disclosed