SCHEMBL20032884

SCHEMBL20032884

C[C@@H]1C[C@@H](O)CC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)c(N)n1)CC2

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.82

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
SCHEMBL20032855 1.00 PTPN11 (0.82) PTPN11
SCHEMBL20032856 0.94 PTPN11 (0.72) PTPN11
SCHEMBL16925048 0.90 PTPN11 (1.00) PTPN11
SCHEMBL29677191 0.90 PTPN11 (1.00) PTPN11
SCHEMBL29677084 0.90 PTPN11 (1.00) PTPN11
SCHEMBL16925047 0.90 PTPN11 (1.00) PTPN11
SCHEMBL20032878 0.86 PTPN11 (0.76) PTPN11
SCHEMBL16925216 0.85 PTPN11 (0.73) PTPN11
SCHEMBL20382829 0.85 PTPN11 (0.81) PTPN11
SCHEMBL20032861 0.85 PTPN11 (0.81) 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
US-9938295-B2 2018-04-10 US disclosed