SCHEMBL13635948

SCHEMBL13635948

CN(C)c1nc(N)nc2nc(-c3c(F)cccc3OC3CCCC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.43
MCHR1 Q99705 4/20 0.36
EGLN1 Q9GZT9 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT1 Q99873 1/20 0.33
LRRK2 Q5S007 1/20 0.33
TUBB3 Q13509 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL4386869 0.84 PTPN1 (0.62) PTPN1
Trifluoroacetic Acid SCHEMBL3731700 0.77 PTPN1 (0.57) PTPN1
SCHEMBL4373578 0.71 PTPN1 (0.72) PTPN1
SCHEMBL4386872 0.68 MCHR1 (0.36) MCHR1PIM1PIM3PIM2
Trifluoroacetic Acid SCHEMBL3742365 0.67 PTPN1 (0.65) PTPN1
SCHEMBL4387061 0.67 PTPN1 (0.74) PTPN1
SCHEMBL17164061 0.67 MCHR1 (0.49) MCHR1CARM1PRMT1
SCHEMBL4380062 0.65 PTPN1 (0.69) PTPN1
SCHEMBL4384574 0.65 PTPN1 (0.65) PTPN1
SCHEMBL4377819 0.65 PTPN1 (0.65) 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