SCHEMBL4380118

SCHEMBL4380118

CC(O)Nc1nc(N)nc2nc(-c3c(Oc4ccccc4)cccc3C(F)(F)F)ccc12

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.78
NLRP3 Q96P20 1/20 0.38

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
SCHEMBL4389951 0.88 PTPN1 (1.00) PTPN1
Trifluoroacetic Acid SCHEMBL3742374 0.85 PTPN1 (0.89) PTPN1
SCHEMBL13040936 0.84 PTPN1 (0.75) PTPN1NLRP3
SCHEMBL13040949 0.83 PTPN1 (0.89) PTPN1
SCHEMBL4375120 0.81 PTPN1 (0.87) PTPN1
SCHEMBL4373573 0.80 PTPN1 (0.85) PTPN1
Trifluoroacetic Acid SCHEMBL3739101 0.80 PTPN1 (0.80) PTPN1
Trifluoroacetic Acid SCHEMBL3742449 0.80 PTPN1 (0.69) PTPN1NLRP3
Trifluoroacetic Acid SCHEMBL3735147 0.80 PTPN1 (0.80) PTPN1
SCHEMBL4371455 0.80 PTPN1 (0.84) 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