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SCHEMBL24892227

SCHEMBL24892227

Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)cc3)cc2)ccc1CN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 15/20 0.41
▸ BTK Q06187 2/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL30182523 1.00 NAMPT (0.41) NAMPTBTKRAF1BRAFCD274
SCHEMBL30182331 0.90 NAMPT (0.44) NAMPTCD274
SCHEMBL24669388 0.90 NAMPT (0.44) NAMPTCD274
SCHEMBL24669386 0.90 NAMPT (0.44) NAMPTCD274
SCHEMBL30182539 0.89 NAMPT (0.37) NAMPTBTKRAF1BRAFCD274
SCHEMBL24891942 0.89 NAMPT (0.37) NAMPTBTKRAF1BRAFCD274
SCHEMBL29803739 0.88 NAMPT (0.37) NAMPTBTKRAF1BRAF
SCHEMBL24671116 0.88 NAMPT (0.37) NAMPTBTKRAF1BRAF
SCHEMBL24891827 0.87 NAMPT (0.42) NAMPT
SCHEMBL30182197 0.87 NAMPT (0.42) NAMPT

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 — — WO disclosed