SCHEMBL29752138

SCHEMBL29752138

C#CCOc1ccc(Nc2nc(Nc3ccc(C)cc3S(N)(=O)=O)ncc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.55
AURKA O14965 7/20 0.55
CDK2 P24941 3/20 0.55
AURKB Q96GD4 3/20 0.55
EGFR P00533 2/20 0.55
PLK4 O00444 2/20 0.55
PDPK1 O15530 2/20 0.55
DAPK3 O43293 2/20 0.55
JAK2 O60674 2/20 0.55
MAP4K4 O95819 2/20 0.55
PAK4 O96013 2/20 0.55
CHEK2 O96017 2/20 0.55
ERBB2 P04626 2/20 0.55
NTRK1 P04629 2/20 0.55
PRKCG P05129 2/20 0.55
INSR P06213 2/20 0.55
LCK P06239 2/20 0.55
FYN P06241 2/20 0.55
CDK1 P06493 2/20 0.55
LYN P07948 2/20 0.55

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
SCHEMBL28778545 1.00 SYK (0.55) SYKAURKACDK2AURKBEGFR
SCHEMBL1275642 0.86 SYK (0.72) SYKAURKACDK2AURKBEGFR
SCHEMBL1476160 0.82 SYK (0.62) SYKAURKACDK2AURKBEGFR
SCHEMBL1474827 0.82 SYK (0.59) SYKAURKACDK2AURKBEGFR
SCHEMBL1474610 0.82 SYK (0.58) SYKAURKACDK2AURKBEGFR
SCHEMBL1474611 0.81 SYK (0.57) SYKAURKACDK2AURKBEGFR
SCHEMBL1474794 0.79 SYK (0.67) SYKAURKACDK2AURKBEGFR
SCHEMBL12902019 0.79 SYK (0.62) SYKAURKACDK2AURKBEGFR
SCHEMBL1473228 0.79 EGFR (0.62) SYKAURKACDK2AURKBEGFR
SCHEMBL1607189 0.78 JAK3 (0.60) SYKAURKACDK2AURKBEGFR

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-114698370-A Compounds and methods for treating cytokine release syndrome 里格尔药品股份有限公司 2022-07-01 CN disclosed