SCHEMBL24879462

SCHEMBL24879462

O=c1c2c(Cl)c(Sc3cnc(N4CCC5(CCOC5)CC4)cn3)ccc2ncn1CC1CCOC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 19/20 0.37
KCNH2 Q12809 1/20 0.37
ENPP2 Q13822 1/20 0.35

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
SCHEMBL24879375 0.95 PTPN11 (0.38) PTPN11KCNH2
SCHEMBL24879135 0.91 PTPN11 (0.36) PTPN11KCNH2
SCHEMBL27459412 0.90 PTPN11 (0.37) PTPN11KCNH2ENPP2
SCHEMBL27459089 0.89 PTPN11 (0.36) PTPN11KCNH2
SCHEMBL24879313 0.86 PTPN11 (0.36) PTPN11KCNH2
SCHEMBL24879121 0.86 PTPN11 (0.40) PTPN11KCNH2
SCHEMBL24879168 0.86 PTPN11 (0.38) PTPN11KCNH2
SCHEMBL24879278 0.86 PTPN11 (0.44) PTPN11
SCHEMBL24879025 0.85 PTPN11 (0.50) PTPN11
SCHEMBL27459112 0.85 PTPN11 (0.37) 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 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