SCHEMBL24823322

SCHEMBL24823322

CC(C)(O)c1nc2cc3c(cc2cc1N)CCC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.38
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FKBP4 Q02790 1/20 0.32
FKBP5 Q13451 1/20 0.32
LMNA P02545 1/20 0.32
NLRP3 Q96P20 1/20 0.30
TERT O14746 1/20 0.30

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
SCHEMBL30311034 1.00 RXFP1 (0.38) RXFP1MAPTGAAALDH1A1KDM4E
SCHEMBL24823325 0.86
SCHEMBL30310958 0.86
SCHEMBL24823317 0.79 DYRK1A (0.37) MAPTKDM4E
SCHEMBL30310938 0.79 DYRK1A (0.37) MAPTKDM4E
SCHEMBL24823318 0.79 DYRK1A (0.37) MAPTKDM4E
SCHEMBL30310926 0.79 DYRK1A (0.37) MAPTKDM4E
SCHEMBL30952889 0.74 RAB9A (0.37) RXFP1MAPTGAAALDH1A1KDM4E
SCHEMBL23625903 0.74 RAB9A (0.37) RXFP1MAPTGAAALDH1A1KDM4E
SCHEMBL24823391 0.74 CYP17A1 (0.38)

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-115843293-A Tricyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-03-24 CN disclosed
WO-2022267930-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2022-12-29 WO disclosed