SCHEMBL13635901

SCHEMBL13635901

CCNc1nc(N)nc2nc(-c3c(N4CCN(C)CC4)cccc3C(F)(F)F)ccc12

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.69
NLRP3 Q96P20 4/20 0.49
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL4374694 0.90 PTPN1 (0.85) PTPN1
Trifluoroacetic Acid SCHEMBL3729135 0.84 PTPN1 (0.76) PTPN1
SCHEMBL4374325 0.84 PTPN1 (0.81) PTPN1
SCHEMBL13040908 0.82 PTPN1 (1.00) PTPN1
SCHEMBL4382293 0.82 PTPN1 (0.75) PTPN1NLRP3
SCHEMBL4371507 0.81 PTPN1 (0.78) PTPN1NLRP3
SCHEMBL3732057 0.81 PTPN1 (1.00) PTPN1
SCHEMBL4381209 0.81 PTPN1 (0.82) PTPN1
SCHEMBL4376458 0.80 PTPN1 (0.81) PTPN1
SCHEMBL4374723 0.80 PTPN1 (1.00) 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 disclosed