SCHEMBL26390707

SCHEMBL26390707

CNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.38
LIPG Q9Y5X9 3/20 0.38
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
EGFR P00533 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ROCK1 Q13464 1/20 0.32
BACE1 P56817 1/20 0.31
P4HB P07237 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPK1 P28482 1/20 0.30
F2 P00734 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL31636018 0.84 LPL (0.40) LPLLIPGPRMT5WDR77EGFR
SCHEMBL19665906 0.81 LIPG (0.37) LPLLIPGPRMT5WDR77EGFR
SCHEMBL2734477 0.80 LPL (0.39) LPLLIPGPRMT5WDR77EGFR
SCHEMBL30084145 0.80 LPL (0.39) LPLLIPGPRMT5WDR77EGFR
SCHEMBL19564598 0.77 LPL (0.40) LPLLIPGPRMT5WDR77EGFR
SCHEMBL23901077 0.77 PRMT5 (0.41) LPLLIPGPRMT5WDR77IDO1
SCHEMBL26390731 0.76 ELANE (0.38) EGFRMAPK1
SCHEMBL26391769 0.76 TRIM58 (0.45) MAPK1
SCHEMBL15574528 0.74 LIPG (0.41) LPLLIPGPRMT5WDR77EGFR
SCHEMBL26392644 0.73 TRIM58 (0.39) MAPK1

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-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 WO disclosed