SCHEMBL24879097

SCHEMBL24879097

COCCn1cnc2ccc(Sc3ncc(N4CCC5(CC4)CC4=C(C5N)N4SC)nc3N)c(Cl)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.44
KCNH2 Q12809 11/20 0.44

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
SCHEMBL24879044 0.90 PTPN11 (0.45) PTPN11KCNH2
SCHEMBL24879113 0.89 PTPN11 (0.40) PTPN11KCNH2
SCHEMBL27453167 0.87 PTPN11 (0.45) PTPN11KCNH2
SCHEMBL30987311 0.86 PTPN11 (0.61) PTPN11KCNH2
SCHEMBL24879498 0.86 PTPN11 (0.63) PTPN11KCNH2
SCHEMBL27453171 0.85 PTPN11 (0.50) PTPN11KCNH2
SCHEMBL24878780 0.85 PTPN11 (0.62) PTPN11KCNH2
SCHEMBL24878919 0.85 PTPN11 (0.63) PTPN11KCNH2
SCHEMBL24879501 0.85 PTPN11 (0.41) PTPN11
SCHEMBL24879261 0.84 PTPN11 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed