SCHEMBL14475037

SCHEMBL14475037

Nc1cccc(-c2ccc3nc(-c4cccnc4)nc(N)c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ PSIP1 O75475 1/20 0.59
▸ AXL P30530 1/20 0.59
▸ MKNK1 Q9BUB5 1/20 0.59
▸ MKNK2 Q9HBH9 1/20 0.59
▸ MAP4K4 O95819 1/20 0.51
▸ ABCG2 Q9UNQ0 4/20 0.50
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CYP1A2 P05177 5/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ CLK4 Q9HAZ1 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ PIK3CD O00329 1/20 0.45

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
SCHEMBL14475168 0.88 PIK3CA (0.49) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL14475072 0.87 MAP4K4 (0.53) MEN1MAP4K4ABCG2ADORA2AADORA1
SCHEMBL14474998 0.87 ABCG2 (0.55) MAP4K4ABCG2ADORA2AADORA1PIK3CA
SCHEMBL14475050 0.86 CYP1A2 (0.54) MEN1MAP4K4ABCG2ADORA2AADORA1
SCHEMBL14475029 0.86 PDE5A (0.51) MEN1MAP4K4ABCG2ADORA2AADORA1
SCHEMBL14475229 0.84 CYP1A2 (0.64) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL20273750 0.84 CYP1A2 (0.64) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL14727934 0.84 ABCG2 (0.61) MEN1MAP4K4ABCG2CYP1A2CYP3A4
SCHEMBL14727837 0.84 ABCG2 (0.56) MEN1MAP4K4ABCG2ADORA2AADORA1
SCHEMBL18023076 0.84 POLB (0.49) MEN1MAP4K4ABCG2ADORA2AADORA1

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
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO disclosed
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