SCHEMBL4380468

SCHEMBL4380468

CN1C(N)=Nc2nc(-c3cc(Cl)ccc3Cl)ccc2C1N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
HTR2B P41595 1/20 0.38
PDE4D Q08499 1/20 0.38
AGPAT2 O15120 1/20 0.36
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
PTPN11 Q06124 1/20 0.33
IDO1 P14902 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SCN10A Q9Y5Y9 2/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.31
TYMS P04818 1/20 0.30
PDE2A O00408 3/20 0.30
PDE10A Q9Y233 2/20 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
SCHEMBL4389735 0.90 HSP90AA1 (0.42) PTPN1DPP4DPP8CNR2HSP90AA1
SCHEMBL4371884 0.81 PTPN1 (0.41) PTPN1DPP4PTPN11IDO1CNR2
SCHEMBL3735387 0.80 PTPN11 (0.30) PTPN11
SCHEMBL4511454 0.79 HTR2B (0.35) HTR2BPDE4DDPP4DPP8PTPN11
SCHEMBL3734163 0.76 PTPN1 (0.37) PTPN1IDO1CNR2HSP90AA1
SCHEMBL3734371 0.75 PDE2A (0.32) PTPN1LMNAPDE2APDE10A
SCHEMBL3737667 0.74 ASIC3 (0.40) ALDH1A1HSP90AA1LMNAPKM
SCHEMBL3734730 0.72 PTPN1 (0.41) PTPN1
SCHEMBL3727498 0.72 F2RL3 (0.33) PTPN1
SCHEMBL4374306 0.71 DHFR (0.41) ALDH1A1PKMPDE10A

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