SCHEMBL4374199

SCHEMBL4374199

CCCN1C(N)=Nc2nc(-c3ccccc3C(F)(F)F)ccc2C1N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
PTPN1 P18031 4/20 0.41
CTSK P43235 1/20 0.36
HSD11B1 P28845 6/20 0.35
KMO O15229 1/20 0.35
TRPA1 O75762 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
SCN9A Q15858 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
BACE1 P56817 1/20 0.33
HSD11B2 P80365 1/20 0.32
ATR Q13535 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4375859 0.91 PTPN1 (0.42) TLR8PTPN1CTSKHSD11B1KMO
SCHEMBL3734730 0.85 PTPN1 (0.41) TLR8PTPN1HSD11B1KMOTRPA1
SCHEMBL4371511 0.77 PTPN1 (0.43) PTPN1TRPA1SCN9A
SCHEMBL4380083 0.75 TLR8 (0.37) TLR8PTPN1BACE1ATR
SCHEMBL4378608 0.74 PTPN1 (0.36) PTPN1
SCHEMBL3742273 0.74 PTPN1 (0.36) TLR8PTPN1
SCHEMBL3732086 0.74 PTPN1 (0.42) TLR8PTPN1HSD11B1TRPA1BACE1
SCHEMBL3730117 0.72 TRPV3 (0.37) SCN9ACYP1A2
SCHEMBL4384328 0.71 PTPN1 (0.36) TLR8PTPN1CTSK
SCHEMBL3732360 0.70 PTPN1 (0.45) PTPN1HSD11B1TRPA1SCN9A

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