SCHEMBL4380083

SCHEMBL4380083

CCN1C(N)=Nc2nc(-c3ccccc3C)ccc2C1N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.37
PTPN1 P18031 1/20 0.35
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
GRM2 Q14416 1/20 0.32
BACE1 P56817 2/20 0.31
CTSD P07339 1/20 0.31
PRKDC P78527 1/20 0.31
ATR Q13535 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL4378608 0.87 PTPN1 (0.36) PTPN1
SCHEMBL4375859 0.84 PTPN1 (0.42) TLR8PTPN1BACE1ATR
SCHEMBL3734163 0.84 PTPN1 (0.37) TLR8PTPN1GRM2BACE1CTSD
SCHEMBL4531694 0.78 BACE1 (0.39) TLR8BACE1CTSDADORA1
SCHEMBL4374199 0.75 TLR8 (0.44) TLR8PTPN1BACE1ATR
SCHEMBL4380078 0.74 CHRNB2 (0.33) PTPN1
SCHEMBL4531703 0.69 BACE1 (0.37) TLR8BACE1CTSDADORA1
SCHEMBL3729445 0.68 HSP90AA1 (0.41) TLR8PTPN1GRM2ATRADORA2A
SCHEMBL3734730 0.68 PTPN1 (0.41) TLR8PTPN1BACE1ATR
SCHEMBL4534826 0.67 HTR7 (0.41) BACE1CTSDADORA1

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