SCHEMBL30829295

SCHEMBL30829295

COC(=O)c1ncccc1C1(C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
RORC P51449 4/20 0.44
PDK2 Q15119 6/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BRD4 O60885 1/20 0.37
P2RX7 Q99572 2/20 0.37
MAP2K1 Q02750 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
PARP1 P09874 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL29660938 0.81 PDK2 (0.41) L3MBTL1RORCPDK2KDM4EALDH1A1
SCHEMBL28234906 0.77 PDK2 (0.55) PDK2KDM4EALDH1A1ALOX15
SCHEMBL18797724 0.73 PDK2 (0.42) RORCPDK2
SCHEMBL2346222 0.73 L3MBTL1 (0.55) L3MBTL1ALDH1A1MAP2K1ALOX15HTT
SCHEMBL17981528 0.72 RORC (0.51) RORCPDK2
SCHEMBL17138413 0.71 L3MBTL1 (0.53) L3MBTL1RORCKDM4EALDH1A1BRD4
SCHEMBL17138410 0.71 L3MBTL1 (0.53) L3MBTL1RORCKDM4EALDH1A1BRD4
SCHEMBL31471005 0.71 L3MBTL1 (0.53) L3MBTL1MAP2K1ALOX15HTTTLR7
SCHEMBL29861782 0.71 L3MBTL1 (0.60) L3MBTL1KDM4EALDH1A1BRD4MAP2K1
SCHEMBL108122 0.71 L3MBTL1 (0.60) L3MBTL1KDM4EALDH1A1BRD4MAP2K1

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
CN-117777126-A Imidazopyridines as IRAK4 degradants and uses thereof 武汉人福创新药物研发中心有限公司 2024-03-29 CN disclosed