SCHEMBL4378608

SCHEMBL4378608

CCN1C(N)=Nc2nc(-c3ccccc3Br)ccc2C1N

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 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
SCHEMBL4380083 0.87 TLR8 (0.37) PTPN1
SCHEMBL3739137 0.84 HSD17B10 (0.38) PTPN1HSD17B10DPP4DPP8
SCHEMBL4375859 0.83 PTPN1 (0.42) PTPN1
SCHEMBL4374199 0.74 TLR8 (0.44) PTPN1
SCHEMBL4380078 0.74 CHRNB2 (0.33) PTPN1
SCHEMBL3734163 0.70 PTPN1 (0.37) PTPN1HSD17B10
SCHEMBL3727477 0.69 PTPN1 (0.38) PTPN1DPP4DPP8
SCHEMBL3742651 0.69 TLR8 (0.39)
SCHEMBL3729445 0.68 HSP90AA1 (0.41) PTPN1HSD17B10
SCHEMBL4531694 0.68 BACE1 (0.39)

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