SCHEMBL19785249

SCHEMBL19785249

CCc1nc(Sc2cccc(Cl)c2Cl)c(C)nc1N1CCC(C)(N)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.62
KCNH2 Q12809 3/20 0.59
MAPK3 P27361 2/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL19785246 0.91 PTPN11 (0.68) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785059 0.88 PTPN11 (0.50) PTPN11KCNH2
SCHEMBL19785017 0.83 PTPN11 (0.59) PTPN11KCNH2MAPK3MAPK1
SCHEMBL25514340 0.83 PTPN11 (0.56) PTPN11KCNH2
SCHEMBL21154708 0.82 PTPN11 (0.54) PTPN11KCNH2
SCHEMBL21154243 0.81 PTPN11 (0.60) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23425252 0.81 PTPN11 (0.55) PTPN11KCNH2
SCHEMBL19785241 0.81 PTPN11 (0.81) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785039 0.81 PTPN11 (0.83) PTPN11KCNH2MAPK3MAPK1
SCHEMBL21154406 0.80 PTPN11 (0.52) PTPN11KCNH2

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