SCHEMBL29781884

SCHEMBL29781884

CC(C)(C)OC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.50
▸ LRRK2 Q5S007 1/20 0.48
▸ JAK2 O60674 8/20 0.45
▸ JAK1 P23458 6/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ ULK1 O75385 3/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ AURKA O14965 2/20 0.42
▸ RPS6KB1 P23443 2/20 0.42
▸ HAO1 Q9UJM8 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.41
▸ PSMB8 P28062 1/20 0.40

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
SCHEMBL4003253 0.84 CA12 (0.48) LRRK2JAK2JAK1MAP4K4ULK1
SCHEMBL2564647 0.82 CA12 (0.44) JAK2JAK1MAP4K4ULK1CA12
SCHEMBL30050848 0.82 CA12 (0.44) JAK2JAK1MAP4K4ULK1CA12
SCHEMBL29781603 0.80 JAK2 (0.56) NTRK1LRRK2JAK2JAK1ULK1
SCHEMBL4006767 0.80 LRRK2 (0.53) LRRK2JAK2JAK1AURKA
SCHEMBL1141610 0.78 JAK2 (0.51) NTRK1JAK2MAP4K4CSNK2A1
SCHEMBL7369787 0.76 CA12 (0.51) NTRK1JAK2MAP4K4CA12CA1
SCHEMBL30432899 0.75 CA12 (0.47) NTRK1JAK2MAP4K4CA12CA1
SCHEMBL7368266 0.75 CA12 (0.47) NTRK1JAK2MAP4K4CA12CA1
SCHEMBL25777219 0.75 CA12 (0.47) NTRK1JAK2MAP4K4CA12CA1

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
CN-115490751-A Factor D inhibitors 拜奥克里斯特制药公司 2022-12-20 — — CN disclosed
CN-109121414-B Benzopyrazole compounds and analogs thereof 拜奥克里斯特制药公司 2022-07-05 — — CN disclosed
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