SCHEMBL31417630

SCHEMBL31417630

CC(C)(C)OC(=O)NC1CN(c2cc(F)c(C3CCC(=O)NC3=O)c3ccoc23)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 8/20 0.39
▸ CRBN Q96SW2 8/20 0.39
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ KDM4D Q6B0I6 3/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ MAP4K4 O95819 2/20 0.32
▸ AURKA O14965 2/20 0.32
▸ PDPK1 O15530 2/20 0.32
▸ AURKB Q96GD4 2/20 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
SCHEMBL30408483 0.82 CRBN (0.43) DDB1CRBNPIM1PIM3PIM2
SCHEMBL31417615 0.81 CRBN (0.37) DDB1CRBNPIM1PIM3PIM2
SCHEMBL31417804 0.80 CRBN (0.35) DDB1CRBN
SCHEMBL31417772 0.80 FPR1 (0.36) —
SCHEMBL31417736 0.79 NLRP3 (0.39) PIM1PIM3PIM2NLRP3GAA
SCHEMBL30937045 0.79 CRBN (0.40) DDB1CRBNPIM1PIM3PIM2
SCHEMBL31715927 0.78 PIM1 (0.44) DDB1CRBNPIM1PIM3PIM2
SCHEMBL30937057 0.78 PIM1 (0.44) DDB1CRBNPIM1PIM3PIM2
SCHEMBL30936878 0.78 PIM1 (0.44) DDB1CRBNPIM1PIM3PIM2
SCHEMBL30407024 0.76 DDB1 (0.46) DDB1CRBNPIM1PIM3PIM2

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-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 — — WO disclosed
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