SCHEMBL20032883

SCHEMBL20032883

C[C@@H]1CCC12CN(c1cnc(Sc3cccc(Cl)c3Cl)c(N)n1)C2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.73
KCNH2 Q12809 3/20 0.66

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
SCHEMBL20032881 1.00 PTPN11 (0.73) PTPN11KCNH2
SCHEMBL20032876 1.00 PTPN11 (0.73) PTPN11KCNH2
SCHEMBL20032868 0.91 PTPN11 (0.76) PTPN11KCNH2
SCHEMBL16925295 0.89 PTPN11 (0.87) PTPN11KCNH2
SCHEMBL29498074 0.89 PTPN11 (0.87) PTPN11KCNH2
SCHEMBL16925296 0.89 PTPN11 (0.87) PTPN11KCNH2
SCHEMBL16914412 0.89 PTPN11 (0.87) PTPN11KCNH2
SCHEMBL20032869 0.86 PTPN11 (0.83) PTPN11KCNH2
SCHEMBL20032858 0.86 PTPN11 (0.83) PTPN11KCNH2
SCHEMBL16925246 0.85 PTPN11 (1.00) 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
US-9938295-B2 2018-04-10 US disclosed