SCHEMBL7435358

SCHEMBL7435358

CS(=O)(=O)Nc1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.73
▸ CYP3A4 P08684 7/20 0.73
▸ CYP2D6 P10635 7/20 0.73
▸ TSHR P16473 6/20 0.73
▸ USP2 O75604 6/20 0.73
▸ HSD17B10 Q99714 5/20 0.73
▸ MAPT P10636 4/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ PDE5A O76074 12/20 0.70
▸ CYP2C19 P33261 6/20 0.67
▸ ALDH1A1 P00352 5/20 0.67
▸ MEN1 O00255 5/20 0.67
▸ KMT2A Q03164 5/20 0.67
▸ LMNA P02545 4/20 0.67
▸ CLK4 Q9HAZ1 3/20 0.67
▸ TP53 P04637 3/20 0.67
▸ MAPK1 P28482 5/20 0.65
▸ GBA1 P04062 1/20 0.65
▸ PTGS1 P23219 1/20 0.65
▸ TBXAS1 P24557 1/20 0.65

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
SCHEMBL7431503 0.89 USP2 (0.68) CYP1A2CYP3A4CYP2D6TSHRUSP2
SCHEMBL7277316 0.84 PDE5A (0.70) CYP1A2CYP3A4CYP2D6TSHRUSP2
SCHEMBL7435336 0.83 PDE5A (0.70) CYP1A2CYP3A4CYP2D6TSHRUSP2
SCHEMBL7281010 0.82 PDE5A (1.00) CYP1A2CYP3A4CYP2D6TSHRUSP2
SCHEMBL7606434 0.82 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6TSHRUSP2
SCHEMBL7285873 0.81 PDE5A (0.78) CYP1A2CYP3A4CYP2D6TSHRUSP2
SCHEMBL7440031 0.81 PDE5A (0.73) CYP1A2CYP3A4CYP2D6TSHRUSP2
SCHEMBL7280074 0.80 PDE5A (1.00) CYP1A2CYP3A4CYP2D6TSHRUSP2
SCHEMBL432876 0.80 PDE5A (1.00) CYP1A2CYP3A4CYP2D6TSHRUSP2
SCHEMBL7280438 0.80 PDE5A (0.76) CYP1A2CYP3A4CYP2D6TSHRUSP2

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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