SCHEMBL4371884

SCHEMBL4371884

CN1C(N)=Nc2nc(-c3cccc(Cl)c3Cl)ccc2C1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
NUDT1 P36639 5/20 0.40
CNR2 P34972 4/20 0.39
CNR1 P21554 2/20 0.39
PTPN11 Q06124 6/20 0.38
MAPK1 P28482 2/20 0.38
MAPK3 P27361 1/20 0.38
CYP2D6 P10635 1/20 0.35
MAOA P21397 1/20 0.35
ADRA1A P35348 1/20 0.35
SCN4A P35499 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
PDE3A Q14432 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL3727477 0.91 PTPN1 (0.38) PTPN1DPP4
SCHEMBL3742648 0.86 PTPN1 (0.38) PTPN1
SCHEMBL3735387 0.84 PTPN11 (0.30) PTPN11
SCHEMBL3739137 0.81 HSD17B10 (0.38) PTPN1MAPK1MAOADPP4IDO1
SCHEMBL3734371 0.81 PDE2A (0.32) PTPN1MAPK1CYP2D6
SCHEMBL3729445 0.79 HSP90AA1 (0.41) PTPN1MAOA
SCHEMBL4532518 0.78 CNR2 (0.38) NUDT1CNR2CNR1PTPN11SCN9A
SCHEMBL4376393 0.76 HSP90AA1 (0.35)
SCHEMBL3727498 0.75 F2RL3 (0.33) PTPN1
SCHEMBL3737178 0.73 KDM4E (0.44) CYP2D6

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 2 patents. 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
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed