SCHEMBL30872169

SCHEMBL30872169

Cc1cc(C)nc(-n2cc3c(c2)CN(C(=O)c2c(-c4ccccc4)nn4cccnc24)C3)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.38
HCRTR1 O43613 12/20 0.38
PIK3CD O00329 4/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CG P48736 4/20 0.36
PIK3R2 O00459 3/20 0.36
SLC6A7 Q99884 1/20 0.36
PIK3CB P42338 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL30872154 0.83 HCRTR2 (0.37) HCRTR2HCRTR1SLC6A7
SCHEMBL31351496 0.81 HCRTR1 (0.60) HCRTR2HCRTR1
SCHEMBL30872180 0.79 HCRTR1 (0.43) HCRTR2HCRTR1
SCHEMBL30872179 0.79 PKM (0.38) HCRTR2HCRTR1
SCHEMBL30872176 0.73 KDM4E (0.47) HCRTR2HCRTR1L3MBTL1MEN1KMT2A
SCHEMBL30872161 0.70 HCRTR1 (0.48) HCRTR2HCRTR1
SCHEMBL30872171 0.70 HCRTR1 (0.50) HCRTR2HCRTR1
SCHEMBL15210509 0.69 POLB (0.48) PIK3CDPIK3CAPIK3CGPIK3CBL3MBTL1
SCHEMBL30872184 0.69 HCRTR1 (0.43) HCRTR2HCRTR1
SCHEMBL23013190 0.68 EGFR (0.54) L3MBTL1MEN1KMT2A

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-2024109672-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLE METHYL KETONE DERIVATIVE AND APPLICATION THEREOF 江苏恩华药业股份有限公司 2024-05-30 WO disclosed