SCHEMBL30295960

SCHEMBL30295960

N#Cc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccc(Cl)c1Cl

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.77
KCNH2 Q12809 1/20 0.56

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
SCHEMBL21115075 1.00 PTPN11 (0.77) PTPN11KCNH2
SCHEMBL19785118 1.00 PTPN11 (0.77) PTPN11KCNH2
SCHEMBL25514184 0.90 PTPN11 (0.63) PTPN11KCNH2
SCHEMBL19785109 0.88 PTPN11 (0.77) PTPN11KCNH2
SCHEMBL16925231 0.87 PTPN11 (1.00) PTPN11KCNH2
SCHEMBL16925026 0.87 PTPN11 (1.00) PTPN11KCNH2
SCHEMBL30295946 0.87 PTPN11 (0.80) PTPN11KCNH2
SCHEMBL21115148 0.87 PTPN11 (0.80) PTPN11KCNH2
SCHEMBL19785323 0.87 PTPN11 (0.80) PTPN11KCNH2
SCHEMBL30511940 0.87 PTPN11 (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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