SCHEMBL31418525

SCHEMBL31418525

Cc1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccn12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.38
LPL P06858 9/20 0.35
LIPG Q9Y5X9 9/20 0.35
FFAR1 O14842 1/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
EGFR P00533 1/20 0.31
HIF1A Q16665 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL20619282 0.84 LPL (0.40) IRAK4LPLLIPGFFAR1IDO1
SCHEMBL10174900 0.80 KDR (0.56) LPLLIPG
SCHEMBL27080745 0.78 KDM4E (0.34) IRAK4LPLLIPGPRMT5WDR77
SCHEMBL20600818 0.78 LPL (0.39) IRAK4LPLLIPGFFAR1DGAT1
SCHEMBL20620665 0.78 IRAK4 (0.36) IRAK4LPLLIPGFFAR1IDO1
SCHEMBL18015432 0.77 GRM5 (0.44) IRAK4LPLLIPGPRMT5WDR77
SCHEMBL20619971 0.77 IRAK4 (0.43) IRAK4LPLLIPGFFAR1PRMT5
SCHEMBL13574212 0.75 GABRG2 (0.44) LPLLIPG
SCHEMBL3189393 0.74 FLT3 (0.39) PKM
SCHEMBL23089768 0.73 KDM4E (0.43) IRAK4PRMT5WDR77KDM4EALDH1A1

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-2025016391-A1 THIAZOLE PYRAZINE COMPOUNDS AND USE THEREOF 南京再明医药有限公司 2025-01-23 WO disclosed