SCHEMBL30873658

SCHEMBL30873658

CC(C)(C)OC(=O)NC12CC(c3nnc(-c4cncc(F)c4)o3)(C1)C2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 13/20 0.36
▸ KCNH2 Q12809 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ DPP8 Q6V1X1 2/20 0.33
▸ DPP9 Q86TI2 2/20 0.33
▸ CYP11B2 P19099 2/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ BACE1 P56817 1/20 0.31

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
SCHEMBL23358982 1.00 ATF4 (0.36) ATF4KCNH2IDO1DPP8DPP9
SCHEMBL20722141 0.82 ATF4 (0.46) ATF4KCNH2DPP8DPP9
SCHEMBL24462271 0.81 ATF4 (0.43) ATF4KCNH2PDK2
SCHEMBL30873692 0.76 ATF4 (0.43) ATF4KCNH2
SCHEMBL20734206 0.76 ATF4 (0.56) ATF4KCNH2
SCHEMBL23358921 0.76 ATF4 (0.56) ATF4KCNH2
Trifluoroacetic Acid SCHEMBL23359012 0.74 CYP11B2 (0.35) CYP11B2PDK2CYP11B1
Trifluoroacetic Acid SCHEMBL29435983 0.74 CYP11B2 (0.35) CYP11B2PDK2CYP11B1
SCHEMBL20722091 0.74 NQO2 (0.33) CYP11B2CYP11B1BACE1
SCHEMBL29801660 0.74 PSEN1 (0.39) ATF4KCNH2DPP8DPP9PDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239937-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 — — CN disclosed
CN-118239938-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 — — CN disclosed
CN-111094233-B Compounds, compositions, and methods 戴纳立制药公司 2024-03-15 — — CN disclosed
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