SCHEMBL4371899

SCHEMBL4371899

CNc1nc(N)nc2nc(-c3c(N4CCCC4CO)cccc3C(F)(F)F)ccc12

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.69

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
SCHEMBL13040937 1.00 PTPN1 (0.69) PTPN1
Trifluoroacetic Acid SCHEMBL3733578 0.95 PTPN1 (0.63) PTPN1
SCHEMBL13040939 0.90 PTPN1 (0.67) PTPN1
SCHEMBL4379276 0.90 PTPN1 (0.67) PTPN1
SCHEMBL3732571 0.88 PTPN1 (0.74) PTPN1
SCHEMBL3733581 0.88 PTPN1 (0.62) PTPN1
Trifluoroacetic Acid SCHEMBL3747022 0.87 PTPN1 (0.61) PTPN1
SCHEMBL4371938 0.82 PTPN1 (0.79) PTPN1
SCHEMBL13040908 0.82 PTPN1 (1.00) PTPN1
SCHEMBL4378710 0.82 PTPN1 (0.81) PTPN1

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
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP claimed