SCHEMBL24606323

SCHEMBL24606323

CC(C)C(=O)Nc1ncnn2c(C3CCC(COC(=O)C(C)C)O3)ccc12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 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
SCHEMBL24606262 0.85 DOT1L (0.36) —
SCHEMBL26027103 0.85 DOT1L (0.36) —
SCHEMBL26200336 0.85 PDE2A (0.31) PDE2A
SCHEMBL24982214 0.81 PDE2A (0.31) PDE2A
SCHEMBL25009374 0.80 TMPRSS2 (0.30) —
SCHEMBL26200344 0.80 TSHR (0.34) TSHR
SCHEMBL23584687 0.79 PRMT5 (0.36) —
SCHEMBL23584611 0.78 PRMT5 (0.30) —
SCHEMBL24791279 0.76 L3MBTL1 (0.34) GSK3B
SCHEMBL24606316 0.76 DOT1L (0.34) —

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-2022142477-A1 METHODS AND MODIFIED NUCLEOSIDES FOR TREATING CORONAVIRUS INFECTIONS SOUTHERN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-07-07 — — WO disclosed
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