SCHEMBL30952884

SCHEMBL30952884

Nc1cc2nc(N3CCOCC3)oc2cc1CO

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
ELANE P08246 1/20 0.42
PIK3CA P42336 3/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 3/20 0.40
PIK3R1 P27986 1/20 0.39
XRCC6 P12956 1/20 0.39
XRCC5 P13010 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL23625914 0.95 PRKDC (0.43) FAAHELANEPIK3CAMTORPRKDC
SCHEMBL29220365 0.79 PRKDC (0.40) FAAHELANEPIK3CAPRKDCXRCC6
SCHEMBL30952899 0.79 PRKDC (0.40) FAAHELANEPIK3CAPRKDCXRCC6
SCHEMBL24961380 0.78 PKM (0.44) FAAHELANEPRKDCIRAK4MGLL
SCHEMBL14824496 0.77 FAAH (0.44) FAAHELANEPRKDCIRAK4GPR119
SCHEMBL24961378 0.76 GPR119 (0.43) FAAHELANEPIK3CAPRKDCXRCC6
SCHEMBL30952895 0.76 GPR119 (0.43) FAAHELANEPIK3CAPRKDCXRCC6
SCHEMBL14824513 0.75 IRAK4 (0.41) FAAHPRKDCIRAK4MGLLALDH1A1
SCHEMBL24961379 0.74 ALDH1A1 (0.44) FAAHPRKDCIRAK4ALDH1A1
SCHEMBL14810195 0.74 FAAH (0.42) FAAHELANEPIK3CAPRKDCXRCC6

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-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