SCHEMBL22650345

SCHEMBL22650345

CC1(NC(=O)OC(C)(C)C)CCN(c2ccc(N)cc2)C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.35
RORC P51449 2/20 0.35
GAA P10253 1/20 0.34
NR1H2 P55055 1/20 0.33
PPIA P62937 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
DRD2 P14416 1/20 0.32
CASP6 P55212 1/20 0.32
GFER P55789 1/20 0.32
USP30 Q70CQ3 1/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 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
SCHEMBL22650380 0.86 HDAC2 (0.36) RETRORCGAAPPIADDB1
SCHEMBL22650347 0.86 PKM (0.36) RETRORCPPIADDB1CRBN
SCHEMBL29224968 0.83 GFER (0.43) RETRORCGAACASP6GFER
SCHEMBL16491319 0.78 RECQL (0.39) RORCGAA
SCHEMBL16491317 0.73 AAK1 (0.43) RORCGAAUSP30
SCHEMBL22650582 0.71 RET (0.42) RETRORCHDAC3
SCHEMBL20069300 0.71 SMN1; SMN2 (0.41) RETRORCDRD2
SCHEMBL12628008 0.70 RET (0.40) RETRORCDRD2
SCHEMBL22650581 0.70 RET (0.40) RETRORCCRBNHDAC2HDAC1
SCHEMBL23122999 0.69 RET (0.39) RETRORCDDB1CRBNDRD2

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed