SCHEMBL29328995

SCHEMBL29328995

CC(C)(C)OC(=O)N1CCC(COc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.46
GPR119 Q8TDV5 10/20 0.45
TGFBR1 P36897 1/20 0.42
HDAC1 Q13547 1/20 0.41
CETP P11597 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL29328816 0.94 CHEK2 (0.47) CHEK2GPR119TGFBR1CETP
SCHEMBL29328999 0.87 JAK3 (0.40) CHEK2GPR119TGFBR1
SCHEMBL29329943 0.82 SYK (0.37)
SCHEMBL29329117 0.82 CDK2 (0.39)
SCHEMBL29328882 0.81 SCN9A (0.36)
SCHEMBL29328808 0.80 PRKCQ (0.41)
SCHEMBL29329640 0.79 SLC6A2 (0.39)
SCHEMBL29329004 0.79 PRKCQ (0.38)
SCHEMBL29329211 0.79 SYK (0.36)
SCHEMBL29330247 0.77 NFE2L2 (0.38)

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed