SCHEMBL19785090

SCHEMBL19785090

Cc1ccc(-c2nc(CO)c(N3CCC4(CCCC4)CC3)nc2C)c(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 19/20 0.58
KCNH2 Q12809 2/20 0.50
EGFR P00533 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL25514739 0.84 PTPN11 (0.54) PTPN11KCNH2EGFR
SCHEMBL30295849 0.83 PTPN11 (0.56) PTPN11KCNH2EGFR
SCHEMBL19785089 0.83 PTPN11 (0.56) PTPN11KCNH2EGFR
SCHEMBL19785545 0.83 PTPN11 (0.54) PTPN11KCNH2EGFRSCN10A
SCHEMBL23425262 0.82 PTPN11 (0.51) PTPN11KCNH2EGFRSCN10A
SCHEMBL19785078 0.82 PTPN11 (0.51) PTPN11KCNH2EGFR
SCHEMBL24282645 0.80 PTPN11 (0.62) PTPN11KCNH2EGFR
SCHEMBL21154715 0.79 PTPN11 (0.83) PTPN11KCNH2EGFR
SCHEMBL23186858 0.78 PTPN11 (0.55) PTPN11KCNH2EGFRSCN10A
SCHEMBL23425272 0.78 PTPN11 (0.60) 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