SCHEMBL24879313

SCHEMBL24879313

O=C1NCC(Cn2cnc3ccc(Sc4cnc(N5CCC6(CCOC6)CC5)cn4)c(Cl)c3c2=O)O1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL27459512 0.88 PTPN11 (0.37) PTPN11KCNH2
SCHEMBL24879375 0.88 PTPN11 (0.38) PTPN11KCNH2
SCHEMBL27459513 0.87 PTPN11 (0.44) PTPN11KCNH2
SCHEMBL24879462 0.86 PTPN11 (0.37) PTPN11KCNH2
SCHEMBL24879135 0.86 PTPN11 (0.36) PTPN11KCNH2
SCHEMBL27461804 0.84 PTPN11 (0.42) PTPN11KCNH2
SCHEMBL24879180 0.84 PTPN11 (0.51) PTPN11
SCHEMBL24879182 0.84 PTPN11 (0.38) PTPN11KCNH2
SCHEMBL24879168 0.84 PTPN11 (0.38) PTPN11KCNH2
SCHEMBL24879278 0.84 PTPN11 (0.44) 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