SCHEMBL30976705

SCHEMBL30976705

CC(C)n1nnc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MAPK14 Q16539 1/20 0.41
LPL P06858 5/20 0.40
LIPG Q9Y5X9 5/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ESR2 Q92731 1/20 0.35
SNCA P37840 1/20 0.34
EGFR P00533 2/20 0.34
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
FGFR1 P11362 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL20588069 0.89 HCAR3 (0.48) HPGDHCAR3HCAR2MAPK14LPL
SCHEMBL15332992 0.81 SLC9A1 (0.42) HCAR3LPLLIPGIRAK4IDO1
SCHEMBL29305746 0.80 IRAK4 (0.43) LPLLIPGIRAK4IDO1TDO2
SCHEMBL29608344 0.77 SLC9A1 (0.41) HPGDHCAR3LPLLIPGIRAK4
SCHEMBL26979177 0.76 LPL (0.38) LPLLIPGIRAK4IDO1TDO2
SCHEMBL30725371 0.76 LPL (0.38) LPLLIPGIRAK4IDO1TDO2
SCHEMBL793442 0.76 LIPG (0.41) LPLLIPGIRAK4IDO1TDO2
SCHEMBL30381461 0.75 IRAK4 (0.56) LPLLIPGIRAK4IDO1TDO2
SCHEMBL15661832 0.75 IRAK4 (0.56) LPLLIPGIRAK4IDO1TDO2
SCHEMBL30847373 0.75 IRAK4 (0.39) HPGDHCAR3LPLLIPGIRAK4

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-2024148210-A1 CYCLIN-DEPENDENT KINASE 12 MODULATORS AND THERAPEUTIC USES THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-07-11 WO disclosed