SCHEMBL4386942

SCHEMBL4386942

CN1C(N)=Nc2nc(-c3c(Oc4ccccc4F)cccc3C(F)(F)F)ccc2C1N

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.40
RHEB Q15382 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
HSD11B1 P28845 1/20 0.30

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
SCHEMBL4389955 0.89 PTPN1 (0.51) PTPN1
SCHEMBL4375123 0.89 PTPN1 (0.44) PTPN1
SCHEMBL3732360 0.88 PTPN1 (0.45) PTPN1HSD11B1
SCHEMBL4378503 0.87 PTPN1 (0.48) PTPN1
SCHEMBL4384842 0.86 PTPN1 (0.42) PTPN1
SCHEMBL4373575 0.86 PTPN1 (0.43) PTPN1
SCHEMBL3742273 0.85 PTPN1 (0.36) PTPN1
SCHEMBL4379622 0.84 PTPN1 (0.37) PTPN1
SCHEMBL4384579 0.84 PTPN1 (0.37) PTPN1
SCHEMBL4378695 0.83 PTPN1 (0.41) PTPN1RHEB

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