SCHEMBL30828784

SCHEMBL30828784

Cc1nc(N2CCC3(CCCC3N)CC2)c(CO)nc1-c1ccc(Cl)c(C#N)c1F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.49
EGFR P00533 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL21115066 1.00 PTPN11 (0.49) PTPN11EGFRKCNH2
SCHEMBL19785569 1.00 PTPN11 (0.49) PTPN11EGFRKCNH2
SCHEMBL30295813 1.00 PTPN11 (0.49) PTPN11EGFRKCNH2
SCHEMBL23186806 0.92 PTPN11 (0.53) PTPN11EGFRKCNH2
SCHEMBL21154315 0.92 PTPN11 (0.44) PTPN11EGFRKCNH2
SCHEMBL25514625 0.91 PTPN11 (0.47) PTPN11EGFRKCNH2
SCHEMBL21154404 0.89 PTPN11 (0.56) PTPN11EGFRKCNH2
SCHEMBL21154415 0.89 PTPN11 (0.58) PTPN11EGFRKCNH2
SCHEMBL23186818 0.85 PTPN11 (0.60) PTPN11EGFRKCNH2
SCHEMBL21154168 0.84 PTPN11 (0.52) PTPN11EGFRKCNH2

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-4302834-A2 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2024-01-10 EP disclosed