SCHEMBL19785067

SCHEMBL19785067

CCc1nc(-c2ccnc(Cl)c2Cl)c(C)nc1N1CCC2(CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 15/20 0.46
EGFR P00533 1/20 0.40
KCNH2 Q12809 1/20 0.40
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.35

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
SCHEMBL19785447 0.84 PTPN11 (0.43) PTPN11EGFRKCNH2PIK3CAMTOR
SCHEMBL19785344 0.81 PTPN11 (0.43) PTPN11KCNH2
SCHEMBL23083948 0.80 PTPN11 (0.56) PTPN11EGFRKCNH2
SCHEMBL25514532 0.80 PTPN11 (0.61) PTPN11EGFRKCNH2
SCHEMBL21154552 0.78 PTPN11 (0.73) PTPN11EGFRKCNH2
SCHEMBL25514538 0.78 PTPN11 (0.49) PTPN11EGFRKCNH2SCN10A
SCHEMBL23083594 0.77 PTPN11 (0.53) PTPN11EGFRKCNH2
SCHEMBL21154789 0.77 PTPN11 (0.57) PTPN11EGFRKCNH2
SCHEMBL21154161 0.77 PTPN11 (0.60) PTPN11EGFRKCNH2
SCHEMBL22789668 0.77 PTPN11 (0.50) PTPN11EGFRKCNH2SCN10A

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