SCHEMBL30005887

SCHEMBL30005887

CC1(C)OB(c2cc(F)c3cn[nH]c3c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.37
LIPG Q9Y5X9 4/20 0.37
IDO1 P14902 3/20 0.36
METAP2 P50579 4/20 0.33
AXL P30530 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
EGFR P00533 2/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL16728595 1.00 LPL (0.37) LPLLIPGIDO1METAP2AXL
SCHEMBL29795157 0.77 IDO1 (0.38) IDO1METAP2CDK2FLT3CCNA1
SCHEMBL21583535 0.77 LPL (0.37) LPLLIPGGSK3AGSK3BEGFR
SCHEMBL1284278 0.77 METAP2 (0.42) LPLLIPGIDO1METAP2AXL
SCHEMBL30892204 0.77 METAP2 (0.42) LPLLIPGIDO1METAP2AXL
SCHEMBL21542750 0.73 IDO1 (0.37) LPLLIPGIDO1METAP2AXL
SCHEMBL29741038 0.73 MAPT (0.45) LPLLIPGIDO1METAP2CDK2
SCHEMBL1318307 0.73 MAPT (0.45) LPLLIPGIDO1METAP2CDK2
SCHEMBL6691092 0.71 LPL (0.50) LPLLIPGROCK1
SCHEMBL25278627 0.71 TRPA1 (0.41) METAP2AXLROCK1

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-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 EP disclosed