SCHEMBL30677174

SCHEMBL30677174

CC1(N)CCN(c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2O)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.58
KCNH2 Q12809 2/20 0.53
MAPK3 P27361 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL23100852 1.00 PTPN11 (0.58) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23100844 0.90 PTPN11 (0.69) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30809748 0.90 PTPN11 (0.69) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23063963 0.89 PTPN11 (0.71) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23063942 0.88 PTPN11 (0.70) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30677217 0.88 PTPN11 (0.71) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23064049 0.88 PTPN11 (0.71) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23126447 0.87 PTPN11 (0.72) PTPN11KCNH2MAPK3MAPK1
SCHEMBL23064013 0.87 PTPN11 (0.72) PTPN11
SCHEMBL23064024 0.87 PTPN11 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112351780-B Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2023-12-01 CN disclosed