SCHEMBL7442516

SCHEMBL7442516

CC(=O)Nc1ccc2nc(-c3ccncc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 10/20 0.63
▸ PTGS1 P23219 1/20 0.63
▸ TBXAS1 P24557 1/20 0.63
▸ PTGS2 P35354 1/20 0.63
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ GBA1 P04062 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ APP P05067 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ USP2 O75604 1/20 0.52

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
SCHEMBL7277316 0.89 PDE5A (0.70) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL7380061 0.84 PDE5A (0.70) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL7431503 0.83 USP2 (0.68) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL7426676 0.82 PDE5A (0.61) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL7431560 0.82 PDE5A (0.64) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL7405705 0.81 PDE5A (0.77) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL7433013 0.81 PDE5A (0.73) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL7609102 0.80 LATS1 (0.62) MEN1KMT2AGBA1TSHRHPGD
SCHEMBL7437119 0.80 PDE5A (0.74) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL7437411 0.80 PDE5A (0.69) PDE5APTGS1TBXAS1PTGS2

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-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 — — EP claimed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 — — EP disclosed
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