SCHEMBL6277780

SCHEMBL6277780

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(N(c3ncccn3)C3CCNCC3)c2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.46
PTPN2 P17706 3/20 0.37

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
SCHEMBL6269335 0.88 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL3912232 0.87 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL6266297 0.84 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL6264921 0.83 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3906027 0.83 PTPN1 (0.49) PTPN1
SCHEMBL6269095 0.83 PTPN1 (0.64) PTPN1PTPN2
SCHEMBL6262950 0.83 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL3909235 0.81 PTPN1 (0.69) PTPN1PTPN2
SCHEMBL3912328 0.81 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL6266854 0.81 PTPN1 (0.46) PTPN1PTPN2

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-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed