SCHEMBL27723957

SCHEMBL27723957

CN(c1ncc(C(N)=O)c2sc(-c3ccccc3OCc3ccccc3)cc12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 7/20 0.49
▸ KCNH2 Q12809 3/20 0.49
▸ PRMT5 O14744 3/20 0.49
▸ GPR119 Q8TDV5 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ BCHE P06276 2/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36

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
SCHEMBL4350194 0.92 CHEK1 (0.53) CHEK1KCNH2PRMT5KMT2A
SCHEMBL4342206 0.82 CHEK1 (0.73) CHEK1KCNH2
SCHEMBL4341478 0.70 CHEK1 (0.51) CHEK1KCNH2JAK2JAK1
SCHEMBL4943046 0.69 PRMT5 (0.47) PRMT5GPR119TLR9TLR7USP30
SCHEMBL7166480 0.69 PRMT5 (0.46) PRMT5GPR119TLR9TLR7USP30
SCHEMBL31020047 0.68 PRMT5 (0.45) PRMT5GPR119TLR9TLR7USP30
SCHEMBL14046479 0.68 PRMT5 (0.48) PRMT5GPR119TLR9TLR7USP30
SCHEMBL4946466 0.68 PRMT5 (0.47) PRMT5GPR119TLR9TLR7USP30
SCHEMBL18497731 0.68 IRAK4 (0.46) PRMT5TLR9TLR7
SCHEMBL18497732 0.68 IRAK4 (0.46) PRMT5TLR9TLR7

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-101189243-A Substituted heterocycles and their use as CHK1, PDK1 and PAK inhibitors ASTRAZENECA AB (SE) 2008-05-28 — — CN disclosed
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