SCHEMBL19785454

SCHEMBL19785454

Cc1nc(N2CCC3(CCCC3)CC2)c(C(C)(C)O)nc1Sc1cccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.49
KCNH2 Q12809 2/20 0.41
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 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
SCHEMBL30511917 0.86 PTPN11 (0.57) PTPN11
SCHEMBL19785453 0.86 PTPN11 (0.57) PTPN11
SCHEMBL25514456 0.86 PTPN11 (0.47) PTPN11
SCHEMBL21115033 0.86 PTPN11 (0.57) PTPN11
SCHEMBL19785059 0.84 PTPN11 (0.50) PTPN11KCNH2
SCHEMBL23186865 0.83 PTPN11 (0.52) PTPN11KCNH2
SCHEMBL19785304 0.83 PTPN11 (0.51) PTPN11KCNH2
SCHEMBL25514225 0.82 PTPN11 (0.49) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23186772 0.81 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL24233619 0.81 PTPN11 (0.43) PTPN11KCNH2MAPK3MAPK1

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 2 patents. 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
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 WO disclosed