SCHEMBL31664072

SCHEMBL31664072

CC(C)(C)OC(=O)Nc1cc(Cl)nc(Cl)c1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.44
LCK P06239 8/20 0.42
CISD2 Q8N5K1 1/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPKAPK2 P49137 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
SCHEMBL1057673 1.00 ATR (0.44) ATRLCKCISD2CYP2C9CYP2C19
SCHEMBL12931843 0.89 SMN1; SMN2 (0.45) ATRLCKCISD2CYP2C9CYP2C19
SCHEMBL1058517 0.89 ALDH1A1 (0.44) ATRLCKSTK17BSTK17ABRD9
SCHEMBL10329956 0.84 KMT2A (0.34) ATRLCK
SCHEMBL30862993 0.83 MEN1 (0.36) ATRLCKCISD2CYP2C9CYP2C19
SCHEMBL30050497 0.81 ATR (0.37) ATRLCKCISD2NPSR1BRD9
SCHEMBL29023131 0.81 ATR (0.37) ATRLCKCISD2NPSR1BRD9
SCHEMBL27141821 0.81 ATR (0.42) ATRLCKSTK17BSTK17ABRD9
SCHEMBL15831474 0.81 ATR (0.42) ATRLCKSTK17BSTK17ABRD9
SCHEMBL11304839 0.81 ALDH1A1 (0.38) ATRLCKSTK17BSTK17ABRD9

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-4613773-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-3731869-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-07-23 EP disclosed