SCHEMBL30296279

SCHEMBL30296279

Cc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1-c1ccnc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.61
KCNH2 Q12809 1/20 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
SCHEMBL19785298 1.00 PTPN11 (0.61) PTPN11KCNH2
SCHEMBL25514424 0.89 PTPN11 (0.48) PTPN11
SCHEMBL19785033 0.86 PTPN11 (0.80) PTPN11KCNH2
SCHEMBL30295835 0.86 PTPN11 (0.80) PTPN11KCNH2
SCHEMBL19785227 0.83 PTPN11 (0.81) PTPN11KCNH2
SCHEMBL19785344 0.82 PTPN11 (0.43) PTPN11KCNH2
SCHEMBL21154409 0.82 PTPN11 (0.57) PTPN11
SCHEMBL19785064 0.82 PTPN11 (0.57) PTPN11KCNH2
SCHEMBL25514425 0.82 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL21115162 0.81 PTPN11 (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4302834-A2 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2024-01-10 EP disclosed
CN-116478131-A 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors 锐新医药公司 2023-07-25 CN disclosed
CN-116478132-A 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors 锐新医药公司 2023-07-25 CN disclosed
CN-109983001-B 2, 5-disubstituted 3-methylpyrazines and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors 锐新医药公司 2023-04-04 CN disclosed