SCHEMBL30782002

SCHEMBL30782002

COc1ccc(CNc2nccc3n[nH]cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.55
POLB P06746 1/20 0.55
NR2F2 P24468 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.49
PDE5A O76074 1/20 0.47
APP P05067 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAPT P10636 2/20 0.46
CLK1 P49759 1/20 0.46
MAP2K4 P45985 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
OXTR P30559 1/20 0.46
THRB P10828 1/20 0.45
LRRK2 Q5S007 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL509566 0.77 EGFR (0.64) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL16655562 0.76 POLB (0.50) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL29363298 0.76 POLB (0.50) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL31473778 0.76 WNT3A (0.62) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL24538470 0.75 EGFR (0.51) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL18300724 0.75 HTT (0.54) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL28283742 0.74 NPC1 (0.64) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL25804253 0.74 THRB (0.52) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL18300154 0.74 HTT (0.52) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL31619953 0.73 PDE5A (0.56) EGFRPOLBNR2F2MEN1KMT2A

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
CN-117396473-A Imidazopyridinyl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed