SCHEMBL19785588

SCHEMBL19785588

CNc1nccc(Sc2nc(CO)c(N3CCC4(CCCC4)CC3)nc2C)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.55
KCNH2 Q12809 4/20 0.40
EGFR P00533 1/20 0.36

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
SCHEMBL21154444 0.89 PTPN11 (0.58) PTPN11KCNH2EGFR
SCHEMBL23186853 0.87 PTPN11 (0.71) PTPN11
SCHEMBL19785587 0.87 PTPN11 (0.61) PTPN11KCNH2
SCHEMBL25514897 0.87 PTPN11 (0.59) PTPN11KCNH2EGFR
SCHEMBL30295918 0.87 PTPN11 (0.61) PTPN11KCNH2
SCHEMBL23083845 0.86 PTPN11 (0.54) PTPN11KCNH2EGFR
SCHEMBL23083492 0.86 PTPN11 (0.54) PTPN11KCNH2EGFR
SCHEMBL23083851 0.86 PTPN11 (0.54) PTPN11KCNH2EGFR
SCHEMBL23186850 0.85 PTPN11 (0.55) PTPN11KCNH2EGFR
SCHEMBL30296051 0.83 PTPN11 (0.81) PTPN11KCNH2EGFR

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