SCHEMBL8558738

SCHEMBL8558738

N=C(N)c1c(F)ccc(Cl)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
BACE1 P56817 1/20 0.35
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
MASP2 O00187 1/20 0.32
PLAU P00749 1/20 0.32
THPO P40225 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
F2 P00734 2/20 0.31
PRSS1 P07477 1/20 0.31
APEX1 P27695 1/20 0.31
PRSS3 P35030 1/20 0.31
IDO1 P14902 5/20 0.31
GAA P10253 1/20 0.30
PBRM1 Q86U86 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 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
Hydrochloric Acid SCHEMBL8377740 0.98 LMNA (0.42) LMNABACE1ITGB3ITGAVMASP2
SCHEMBL20267431 0.85 LMNA (0.40) LMNABACE1ITGB3ITGAVF2
Hydrochloric Acid SCHEMBL7120718 0.80 PRSS1 (0.39) LMNAMASP2PLAUTHPOF2
Hydrochloric Acid SCHEMBL8376470 0.80 PRSS1 (0.39) LMNAMASP2PLAUTHPOF2
Hydrochloric Acid SCHEMBL8380885 0.80 PBRM1 (0.41) IDO1GAAPBRM1SLC2A1
SCHEMBL8377758 0.79 ITGB3 (0.33) ITGB3ITGAVIDO1PBRM1
SCHEMBL2127072 0.78 DPP4 (0.45) TP53TSHRGAASLC2A1
SCHEMBL4737570 0.75 BACE1 (0.50) LMNABACE1GAAPBRM1
Hydrochloric Acid SCHEMBL3717023 0.73 BACE1 (0.49) LMNABACE1GAAPBRM1
SCHEMBL20267890 0.73 CES2 (0.37) LMNAMASP2PLAUTHPOF2

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-0858451-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-08-19 EP disclosed
WO-1997014686-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS ASTRA PHARMACEUTICALS LIMITED (GB) 1997-04-24 WO disclosed