SCHEMBL30161518

SCHEMBL30161518

CC(C)(Cc1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.43
▸ F11 P03951 3/20 0.38
▸ F2 P00734 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ HIF1A Q16665 3/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ EGFR P00533 2/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PDGFRB P09619 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32

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
SCHEMBL25455442 0.78 DGAT1 (0.43) DGAT1F11F2PRSS1PRSS2
SCHEMBL21864818 0.76 DGAT1 (0.41) DGAT1F11F2PRSS1PRSS2
SCHEMBL30161251 0.76 DGAT1 (0.41) DGAT1F11F2PRSS1PRSS2
SCHEMBL1344397 0.74 KDR (0.43) F11EGFRPDGFRBKDRLIPG
SCHEMBL2098884 0.72 BACE1 (0.47) DGAT1F11F2PRSS1PRSS2
SCHEMBL21047924 0.72 LPL (0.44) EGFRLIPGIDO1TDO2
SCHEMBL24744297 0.72 EGFR (0.43) EGFRLIPGIDO1TDO2
SCHEMBL31460801 0.72 LPL (0.44) EGFRLIPGIDO1TDO2
SCHEMBL28877892 0.71 F11 (0.41) DGAT1F11F2PRSS1PRSS2
SCHEMBL25454628 0.70 DGAT1 (0.36) DGAT1HIF1APRMT5WDR77FFAR1

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
EP-4107146-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2022-12-28 — — EP disclosed
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