SCHEMBL30161251

SCHEMBL30161251

CC(C)(C)C(=O)Nc1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.41
▸ HIF1A Q16665 3/20 0.39
▸ PDGFRB P09619 4/20 0.38
▸ KDR P35968 4/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ ADORA1 P30542 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 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
SCHEMBL21864818 1.00 DGAT1 (0.41) DGAT1HIF1APDGFRBKDRPIK3CA
SCHEMBL25455442 0.89 DGAT1 (0.43) DGAT1HIF1APDGFRBKDRPIK3CA
SCHEMBL25453515 0.86 PIK3CA (0.34) DGAT1HIF1APIK3CAADORA1POLB
SCHEMBL29545777 0.80 EGFR (0.39) DGAT1CA1CA2CA9IDO1
SCHEMBL1368949 0.80 EGFR (0.39) DGAT1CA1CA2CA9IDO1
SCHEMBL25454628 0.80 DGAT1 (0.36) DGAT1HIF1AGSK3AGSK3BPRMT5
SCHEMBL23839128 0.77 SYK (0.51) PRMT5WDR77
SCHEMBL21864816 0.76 SYK (0.44) PIK3CAADORA1POLBF2
SCHEMBL10828998 0.76 KMT2A (0.46) PIK3CAADORA1POLB
SCHEMBL30161518 0.76 DGAT1 (0.43) DGAT1HIF1APDGFRBKDRGSK3A

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
Send feedback