SCHEMBL30537698

SCHEMBL30537698

CC(C)(C)OC(=O)Nc1sc2c(F)ccc(B3OC(C)(C)O3)c2c1C#N

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
TRPA1 O75762 1/20 0.31
EGLN2 Q96KS0 2/20 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
SCHEMBL25405428 1.00 MEN1 (0.32) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL24757043 0.94 AAK1 (0.33) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL29813229 0.88 BRAF (0.30) EGLN2
SCHEMBL28807303 0.88 BRAF (0.30) EGLN2
SCHEMBL23499098 0.88 BRAF (0.31) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL29810894 0.88 BRAF (0.31) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30015365 0.84
SCHEMBL25643118 0.82 AAK1 (0.34) MEN1KMT2A
SCHEMBL29810903 0.81 BRAF (0.31) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL26967285 0.81 BRAF (0.31) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4489738-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2025-01-15 EP disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed