SCHEMBL19785330

SCHEMBL19785330

Nc1nccc(Sc2ncc(N3CCC4(CCCC4)CC3)nc2I)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.61
KCNH2 Q12809 1/20 0.54

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
SCHEMBL20388764 0.91 PTPN11 (0.73) PTPN11KCNH2
SCHEMBL19785509 0.88 PTPN11 (0.63) PTPN11
SCHEMBL19785517 0.85 PTPN11 (0.84) PTPN11KCNH2
SCHEMBL24233663 0.85 PTPN11 (0.57) PTPN11KCNH2
SCHEMBL25514330 0.84 PTPN11 (0.70) PTPN11KCNH2
SCHEMBL20388729 0.83 PTPN11 (0.74) PTPN11
SCHEMBL23186842 0.83 PTPN11 (0.59) PTPN11KCNH2
SCHEMBL20461043 0.82 PTPN11 (0.75) PTPN11
SCHEMBL20388730 0.81 PTPN11 (0.73) PTPN11KCNH2
SCHEMBL20461179 0.79 PTPN11 (0.76) PTPN11

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