SCHEMBL30977202

SCHEMBL30977202

CC[C@]12CC[C@H](CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.38
GPR119 Q8TDV5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
KDM1A O60341 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TACR1 P25103 1/20 0.34
CCR5 P51681 2/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL30977200 1.00 RORC (0.38) RORCGPR119KDM4EPKMKDM1A
SCHEMBL25240441 1.00 RORC (0.38) RORCGPR119KDM4EPKMKDM1A
SCHEMBL30977168 1.00 RORC (0.38) RORCGPR119KDM4EPKMKDM1A
SCHEMBL25244104 0.93 ABCB1 (0.39) RORCGPR119KDM4EPKMKDM1A
SCHEMBL25209900 0.91 KDM1A (0.36) RORCGPR119KDM4EPKMKDM1A
SCHEMBL30089167 0.91 KDM1A (0.36) RORCGPR119KDM4EPKMKDM1A
SCHEMBL25206779 0.90 GPR119 (0.34) RORCGPR119KDM4EPKMKDM1A
SCHEMBL30088961 0.90 CCR5 (0.35) RORCGPR119KDM4EPKMKDM1A
SCHEMBL30392576 0.90 GPR119 (0.34) RORCGPR119KDM4EPKMKDM1A
SCHEMBL30977161 0.89 KDM1A (0.35) RORCGPR119KDM4EPKMKDM1A

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-2024131827-A1 KRAS G12D INHIBITORS AND USES THEREOF 上海和誉生物医药科技有限公司 2024-06-27 WO disclosed