SCHEMBL17307066

SCHEMBL17307066

Cc1cccc(-c2ccc3nc(-c4cc(-c5ccncc5)cc(-c5cccnc5)c4)nc(-c4ccccc4)c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ CYP1A2 P05177 4/20 0.45
▸ CYP3A4 P08684 4/20 0.45
▸ CYP2D6 P10635 4/20 0.45
▸ CYP2C19 P33261 4/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ USP2 O75604 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PDE5A O76074 2/20 0.44
▸ CLK4 Q9HAZ1 4/20 0.43
▸ CHEK1 O14757 1/20 0.43

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
SCHEMBL17306755 0.94 MAPT (0.47) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL17306756 0.92 PIK3CA (0.51) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL17307079 0.90 CYP19A1 (0.47) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL17306718 0.89 CYP19A1 (0.48) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL17306463 0.88 CYP11B1 (0.48) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL17306700 0.85 MKNK1 (0.52) MAPTKDM4EALDH1A1HSD17B10MEN1
SCHEMBL17307089 0.85 MKNK1 (0.52) MAPTKDM4EALDH1A1HSD17B10MEN1
SCHEMBL17306569 0.84 HPGD (0.48) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL17307061 0.84 CYP1A2 (0.46) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL17306624 0.83 CYP19A1 (0.56) MAPTALDH1A1LMNACYP1A2CYP3A4

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-2015182769-A1 QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME 東ソー株式会社 2015-12-03 — — WO disclosed
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