SCHEMBL13635844

SCHEMBL13635844

CNc1nc(NC)c2ccc(-c3ccc(C)cc3C)nc2n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.52
TRIM58 Q8NG06 1/20 0.36
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL3729628 0.85 PTPN1 (0.72) PTPN1
SCHEMBL3745228 0.75 PTPN1 (0.72) PTPN1
SCHEMBL3742350 0.70 PTPN1 (0.62) PTPN1
SCHEMBL3735392 0.69 PTPN1 (0.64) PTPN1
SCHEMBL13870896 0.67 PSMB5 (0.44) MAPTNPSR1ALPL
SCHEMBL24395080 0.66 MAPT (0.43) MAPTNPSR1ALPL
SCHEMBL7039117 0.65 HSD17B10 (0.46) MAPTNPSR1ALPL
SCHEMBL13870915 0.65 CYP17A1 (0.38) MAPTNPSR1ALPL
SCHEMBL13989405 0.65 CYP1A2 (0.53) MAPTNPSR1ALPL
SCHEMBL13298969 0.63 CYP1A2 (0.55) MAPTNPSR1ALPL

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