SCHEMBL3709554

SCHEMBL3709554

COC(=O)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(N2CCOC(CN(C)C)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.37
▸ PIK3CA P42336 3/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RAF1 P04049 3/20 0.34
▸ BRAF P15056 3/20 0.34
▸ MTOR P42345 2/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL3712242 0.92 CHEK1 (0.38) LRRK2PIK3CAPIK3CBHIF1AEPAS1
SCHEMBL3714226 0.91 LRRK2 (0.37) LRRK2PIK3CAPIK3CBHIF1AEPAS1
SCHEMBL3714505 0.84 PIK3CA (0.48) PIK3CAPIK3CBMAPTMTORCYP19A1
SCHEMBL3714534 0.82 CHEK1 (0.39) PIK3CAPIK3CBHIF1AEPAS1SYK
SCHEMBL3712077 0.82 ABL1 (0.39) HIF1AEPAS1ALDH1A1CYP19A1CYP11B1
SCHEMBL3714045 0.81 CYP19A1 (0.41) HIF1AEPAS1ALDH1A1CYP19A1CYP11B1
SCHEMBL3711841 0.81 CYP19A1 (0.42) PIK3CAPIK3CBHIF1AEPAS1ALDH1A1
SCHEMBL3711200 0.81 PRKD1 (0.41) HIF1AEPAS1SYKCYP19A1CYP11B1
SCHEMBL3713715 0.81 CYP19A1 (0.40) HIF1AEPAS1ALDH1A1CYP19A1CYP11B1
SCHEMBL3712208 0.81 CYP3A4 (0.47) PIK3CAPIK3CBMAPTMTORCYP19A1

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
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