SCHEMBL30694372

SCHEMBL30694372

Cc1nc(NC2C3CCC2CNC3)cnc1Sc1cccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.39
KCNH2 Q12809 2/20 0.37

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
SCHEMBL19785540 1.00 PTPN11 (0.39) PTPN11KCNH2
SCHEMBL21154268 0.94 PTPN11 (0.36) PTPN11KCNH2
SCHEMBL25514412 0.90 PTPN11 (0.40) PTPN11KCNH2
SCHEMBL23425106 0.86 PTPN11 (0.39) PTPN11KCNH2
SCHEMBL21154449 0.83 PTPN11 (0.37) PTPN11KCNH2
SCHEMBL19785548 0.80 PTPN11 (0.39) PTPN11KCNH2
SCHEMBL30295976 0.79 PTPN11 (0.40) PTPN11KCNH2
SCHEMBL19785255 0.79 PTPN11 (0.40) PTPN11KCNH2
SCHEMBL25514418 0.78 PTPN11 (0.39) PTPN11KCNH2
SCHEMBL23186823 0.78 PTPN11 (0.36) PTPN11KCNH2

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
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed