SCHEMBL26168386

SCHEMBL26168386

N/N=C(\N)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 8/20 0.75
▸ PTPN5 P54829 2/20 0.75
▸ PTPN1 P18031 2/20 0.75
▸ PTPN7 P35236 1/20 0.75
▸ DUSP3 P51452 1/20 0.75
▸ AKT1 P31749 1/20 0.52
▸ INSR P06213 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ TYR P14679 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ LDHA P00338 1/20 0.39
▸ LDHB P07195 1/20 0.39
▸ HAO1 Q9UJM8 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CDK2 P24941 1/20 0.39

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
SCHEMBL26168391 0.89 PTPN22 (0.83) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL14444606 0.86 PTPN22 (1.00) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25248130 0.86 PTPN22 (1.00) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25248127 0.86 PTPN22 (1.00) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL26168393 0.85 PTPN22 (0.83) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL26168387 0.84 PTPN22 (0.74) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL26168431 0.81 PTPN22 (0.79) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25208569 0.80 PTPN22 (0.75) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25266912 0.80 PTPN22 (0.75) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25267615 0.80 PTPN22 (0.71) PTPN22PTPN5PTPN1PTPN7DUSP3

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-2023091674-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2023-05-25 — — WO disclosed
Send feedback