SCHEMBL7432190

SCHEMBL7432190

COC(=O)c1cccc(CNc2nc(-c3cccnc3)nc3ccccc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.74
▸ MEN1 O00255 9/20 0.72
▸ KMT2A Q03164 9/20 0.72
▸ CYP1A2 P05177 8/20 0.72
▸ CYP3A4 P08684 8/20 0.72
▸ CYP2D6 P10635 8/20 0.72
▸ ALDH1A1 P00352 7/20 0.72
▸ CYP2C19 P33261 6/20 0.72
▸ MAPK1 P28482 6/20 0.72
▸ TSHR P16473 6/20 0.72
▸ HSD17B10 Q99714 6/20 0.72
▸ LMNA P02545 6/20 0.72
▸ USP2 O75604 5/20 0.72
▸ KDM4E B2RXH2 4/20 0.72
▸ HIF1A Q16665 2/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ ABCG2 Q9UNQ0 1/20 0.71
▸ PDE5A O76074 5/20 0.70
▸ CLK4 Q9HAZ1 4/20 0.70
▸ TP53 P04637 2/20 0.70

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
SCHEMBL7411431 0.88 PDE5A (0.71) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7279992 0.84 CYP1A2 (1.00) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7286130 0.83 PDE5A (1.00) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7279839 0.83 ABCG2 (1.00) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL20710514 0.82 CYP1A2 (0.72) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7277274 0.82 CYP1A2 (1.00) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7279378 0.82 MEN1 (0.84) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7280020 0.82 PDE5A (0.83) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7280346 0.81 KMT2A (0.82) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7276945 0.81 CYP1A2 (0.80) MAPTMEN1KMT2ACYP1A2CYP3A4

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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