SCHEMBL23023809

SCHEMBL23023809

COc1ccc(CNc2cc(CCc3nn(C)c4ccc(-c5c(C)nc6c(NCc7cccs7)cc(C)nn56)cc34)nn3c(-c4ccc5c(c4)c(C)nn5C)c(C)nc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 10/20 0.37
SMPD3 Q9NY59 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
PI4KA P42356 3/20 0.32
FYN P06241 4/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL29644505 0.86 PI4KB (0.45) PI4KBSMPD3PDE1APDE1BPDE1C
SCHEMBL20528862 0.86 PI4KB (0.45) PI4KBSMPD3PDE1APDE1BPDE1C
SCHEMBL23024581 0.84 PI4KB (0.40) PI4KB
SCHEMBL29644502 0.83 PI4KB (0.43) PI4KBSMPD3CLK4DYRK1A
SCHEMBL21628167 0.83 PI4KB (0.43) PI4KBSMPD3CLK4DYRK1A
SCHEMBL20528846 0.78 PI4KB (0.42) PI4KBSMPD3PI4KA
SCHEMBL29644511 0.78 PI4KB (0.42) PI4KBSMPD3PI4KA
SCHEMBL20528858 0.76 PI4KB (0.54) PI4KBSMPD3PI4KA
SCHEMBL29644496 0.76 PI4KB (0.54) PI4KBSMPD3PI4KA
SCHEMBL21628161 0.73 PI4KB (0.49) PI4KBPI4KA

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-2021032611-A1 HETEROAROMATIC COMPOUNDS USEFUL IN THERAPY CUROVIR AB (SE) 2021-02-25 WO disclosed