SCHEMBL4389735

SCHEMBL4389735

CN1C(N)=Nc2nc(-c3ccc(Cl)cc3Cl)ccc2C1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.40
HSD11B1 P28845 2/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CLK1 P49759 1/20 0.36
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AMY1A P0DUB6 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
SCHEMBL4380468 0.90 PTPN1 (0.40) HSP90AA1HSP90AB1LMNAPTPN1DPP4
SCHEMBL4371884 0.81 PTPN1 (0.41) PTPN1DPP4CNR1CNR2
SCHEMBL3735387 0.78 PTPN11 (0.30)
SCHEMBL3734163 0.76 PTPN1 (0.37) HSP90AA1PTPN1MAPTSMN1; SMN2KDM4E
SCHEMBL3734371 0.75 PDE2A (0.32) LMNAPTPN1SMN1; SMN2
SCHEMBL3737667 0.74 ASIC3 (0.40) HSP90AA1LMNAMAPTMEN1KMT2A
SCHEMBL3734730 0.72 PTPN1 (0.41) PTPN1HSD11B1
SCHEMBL3727498 0.72 F2RL3 (0.33) PTPN1
SCHEMBL4511454 0.72 HTR2B (0.35) HSD11B1DPP4CNR2DPP8
SCHEMBL3737121 0.71 PTPN1 (0.43) PTPN1HSD11B1MAPTMEN1KMT2A

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