SCHEMBL30040347

SCHEMBL30040347

CC(C)(O)c1nc2cc3nc(N4CCOCC4)oc3cc2cc1N

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
FAAH O00519 1/20 0.40
PRKDC P78527 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
SYK P43405 1/20 0.35
PIK3CG P48736 1/20 0.35
MAP3K9 P80192 1/20 0.35
ELANE P08246 1/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL24961373 1.00 CNR2 (0.43) CNR2FAAHPRKDCGPR119IRAK4
SCHEMBL30040160 0.95 CNR2 (0.41) CNR2FAAHPRKDCGPR119IRAK4
SCHEMBL23625918 0.95 CNR2 (0.41) CNR2FAAHPRKDCGPR119IRAK4
SCHEMBL28767224 0.78 CNR2 (0.41) CNR2FAAHPRKDCGPR119IRAK4
SCHEMBL23626191 0.76 SMN1; SMN2 (0.34)
SCHEMBL30952890 0.76 SMN1; SMN2 (0.34)
SCHEMBL24961376 0.75 KDM4E (0.47) CNR2FAAHPIK3CA
SCHEMBL28765810 0.74 ELANE (0.41) CNR2FAAHPRKDCGPR119IRAK4
SCHEMBL14824496 0.71 FAAH (0.44) FAAHPRKDCGPR119IRAK4ELANE
SCHEMBL30952884 0.71 FAAH (0.42) FAAHPRKDCGPR119IRAK4PIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113767090-B Tricyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-05-28 CN disclosed
EP-4086241-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd (CN) 2022-11-09 EP disclosed