SCHEMBL19785532

SCHEMBL19785532

C=Cc1nc(N2CCC3(CCCC3)CC2)cnc1-c1cccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.54
KCNH2 Q12809 2/20 0.54
MAPK3 P27361 1/20 0.54
MAPK1 P28482 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
SCHEMBL24233618 0.85 PTPN11 (0.50) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785514 0.84 PTPN11 (0.60) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785431 0.84 PTPN11 (0.57) PTPN11KCNH2MAPK3MAPK1
SCHEMBL20388767 0.84 PTPN11 (0.76) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785531 0.83 PTPN11 (0.76) PTPN11KCNH2
SCHEMBL25514335 0.83 PTPN11 (0.60) PTPN11KCNH2MAPK3MAPK1
SCHEMBL16925395 0.81 PTPN11 (0.76) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785430 0.81 PTPN11 (0.54) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785432 0.78 PTPN11 (0.55) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19651498 0.77 PTPN11 (0.55) PTPN11KCNH2MAPK3MAPK1

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