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Sugi Predict / Compounds / SCHEMBL30765225

SCHEMBL30765225

SCHEMBL30765225

Cc1cc(-c2cc3nccc(-c4ccnc(C(C)(C)O)c4)c3o2)cc(C)c1C(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 3/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ RAF1 P04049 15/20 0.37
▸ BRAF P15056 15/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ MTOR P42345 1/20 0.34

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
SCHEMBL27263074 1.00 CA9 (0.40) CA9CA12CA1CA2RAF1
SCHEMBL30765238 0.90 MTOR (0.37) CA9CA12CA1CA2RAF1
SCHEMBL27263073 0.90 MTOR (0.37) CA9CA12CA1CA2RAF1
SCHEMBL30765407 0.88 TGFBR1 (0.42) RAF1BRAFJAK2JAK1TYK2
SCHEMBL27262365 0.88 TGFBR1 (0.42) RAF1BRAFJAK2JAK1TYK2
SCHEMBL27262872 0.82 MAPT (0.43) JAK2JAK1TYK2JAK3
SCHEMBL30765215 0.82 MAPT (0.43) JAK2JAK1TYK2JAK3
SCHEMBL30765278 0.80 CYP3A4 (0.39) RAF1BRAF
SCHEMBL27263071 0.80 CYP3A4 (0.39) RAF1BRAF
SCHEMBL27262543 0.78 TGFBR1 (0.40) JAK2JAK1TYK2JAK3

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-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 — — WO disclosed