SCHEMBL22102917

SCHEMBL22102917

NC(=O)c1c(N[S+]([O-])NC2CC2)nn2cccnc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 5/20 0.36
▸ KCNQ2 O43526 5/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ SYK P43405 5/20 0.35
▸ ZAP70 P43403 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ IRAK4 Q9NWZ3 4/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R2 O00459 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL29359724 0.74 HTR6 (0.49) KCNQ3KCNQ2IRAK4HPGDSMN1; SMN2
SCHEMBL22102600 0.72 HTR6 (0.41) IRAK4HPGDPIK3CDPIK3R2PIK3CG
SCHEMBL25261273 0.71 KCNQ3 (0.43) KCNQ3KCNQ2ALDH1A1TSHRHPGD
SCHEMBL17657041 0.70 PIK3CG (0.45) JAK2JAK3IRAK4PIK3CDPIK3R2
SCHEMBL31061409 0.70 IRAK4 (0.40) JAK2JAK3IRAK4HPGDPIK3CD
SCHEMBL22102607 0.69 NTRK1 (0.51) ALDH1A1IRAK4HPGDSMN1; SMN2PIK3CD
SCHEMBL462895 0.69 HPGD (0.41) ALDH1A1IRAK4HPGDSMN1; SMN2PIK3CD
SCHEMBL22102625 0.68 HTR6 (0.43) KCNQ3KCNQ2IRAK4HPGDPIK3CD
SCHEMBL23216990 0.68 HPGD (0.40) KCNQ3KCNQ2JAK2JAK3ALDH1A1
SCHEMBL23217145 0.67 JAK2 (0.38) KCNQ3KCNQ2JAK2JAK3SYK

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-2020119592-A1 NOVEL THREE-RING FUSED STRUCTURE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 信达生物制药(苏州)有限公司 2020-06-18 — — WO disclosed
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