SCHEMBL28517030

SCHEMBL28517030

Cc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccn3)c(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
SYK P43405 8/20 0.48
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29567873 1.00 GAA (0.49) GAASYKAURKBINCENPMEN1
SCHEMBL25213409 0.80 SYK (0.46) GAASYKAURKBINCENPMEN1
SCHEMBL2760112 0.80 SYK (0.59) GAASYKAURKBINCENPMEN1
SCHEMBL25213830 0.78 SYK (0.46) GAASYKAURKBINCENPMEN1
SCHEMBL19089278 0.77 SYK (0.67) GAASYKAURKBINCENPEGFR
SCHEMBL31530287 0.77 GAA (0.57) GAASYKTP53SMN1; SMN2EGFR
SCHEMBL22874612 0.76 SYK (0.53) SYKAURKBINCENPKMT2AEGFR
SCHEMBL4174306 0.76 ALDH1A1 (0.47) GAASMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL13940197 0.75 ENPP1 (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL15075236 0.74 SYK (0.69) SYKAURKBINCENPMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279838-B Preparation method of pyrroltinib 苏州富士莱医药股份有限公司 2021-07-13 CN claimed
CN-112279838-A Preparation method of pyrroltinib 苏州富士莱医药股份有限公司 2021-01-29 CN claimed
CN-112279838-B Preparation method of pyrroltinib 苏州富士莱医药股份有限公司 2021-07-13 CN disclosed
CN-112279838-A Preparation method of pyrroltinib 苏州富士莱医药股份有限公司 2021-01-29 CN disclosed