SCHEMBL30130008

SCHEMBL30130008

Cn1ncc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.60
LPL P06858 12/20 0.43
LIPG Q9Y5X9 12/20 0.43
FFAR1 O14842 1/20 0.40
NOTUM Q6P988 1/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
PDE1C Q14123 1/20 0.36
F11 P03951 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL15288113 1.00 IRAK4 (0.60) IRAK4LPLLIPGFFAR1NOTUM
SCHEMBL31731047 0.90 IRAK4 (0.56) IRAK4LPLLIPGFFAR1F11
SCHEMBL29357103 0.88 IRAK4 (0.50) IRAK4LPLLIPGFFAR1PDE1C
SCHEMBL858552 0.88 IRAK4 (0.50) IRAK4LPLLIPGFFAR1PDE1C
SCHEMBL17310432 0.84 IRAK4 (0.56) IRAK4LPLLIPGFFAR1NOTUM
SCHEMBL30381447 0.84 IRAK4 (0.56) IRAK4LPLLIPGFFAR1NOTUM
SCHEMBL29041436 0.84 IRAK4 (0.58) IRAK4LPLLIPGFFAR1F11
SCHEMBL17678139 0.82 IRAK4 (0.51) IRAK4LPLLIPGFFAR1
SCHEMBL17678313 0.82 IRAK4 (0.51) IRAK4LPLLIPGFFAR1
SCHEMBL30381461 0.81 IRAK4 (0.56) IRAK4LPLLIPGFFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367117-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-05-15 EP disclosed
EP-4168411-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
WO-2023283213-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-01-12 WO disclosed