SCHEMBL25967219

SCHEMBL25967219

C[C@H]1CC2(CCN(c3cnc(Sc4cccc(N)c4Cl)cn3)CC2)CO1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 20/20 0.68
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL24181566 0.87 PTPN11 (0.51) PTPN11KCNH2
SCHEMBL20388797 0.87 PTPN11 (0.62) PTPN11KCNH2
SCHEMBL24181551 0.86 PTPN11 (0.50) PTPN11
SCHEMBL24861032 0.85 PTPN11 (0.72) PTPN11KCNH2
SCHEMBL24181543 0.84 PTPN11 (0.48) PTPN11
SCHEMBL24181562 0.84 PTPN11 (0.50) PTPN11
SCHEMBL24181680 0.84 PTPN11 (0.47) PTPN11
SCHEMBL24181584 0.84 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL24181521 0.84 PTPN11 (0.47) PTPN11
SCHEMBL24181683 0.84 PTPN11 (0.49) 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-2023122938-A1 HETEROCYCLIC COMPOUNDS AS SHP2 INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2023-07-06 — — WO disclosed
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