SCHEMBL25240441

SCHEMBL25240441

CCC12CCC(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
SCHEMBL30977202 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4640684-A1 KRAS G12D INHIBITORS AND USES THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2025-10-29 EP disclosed
CN-119894891-A KRAS G12D inhibitor and application thereof 上海和誉生物医药科技有限公司 2025-04-25 CN disclosed
EP-4442686-A1 KRAS INHIBITORS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd (CN) 2024-10-09 EP disclosed
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
CN-118055932-A KRAS inhibitor and preparation and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2024-05-17 CN disclosed
WO-2023098425-A1 KRAS INHIBITORS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2023-06-08 WO disclosed
WO-2023098425-A1 KRAS INHIBITORS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2023-06-08 WO disclosed