SCHEMBL29893322

SCHEMBL29893322

NCc1cn2ccnc2c(N2CCC3(CC2)CC3)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
KEAP1 Q14145 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 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
SCHEMBL29893256 0.80 HTR2C (0.68) HTR2CPIK3R1PIK3CAL3MBTL1CYP3A4
SCHEMBL27077423 0.77 HTR2C (0.37) HTR2CPIK3R1PIK3CA
SCHEMBL29894392 0.76 HTR2C (0.44) HTR2CPIK3R1PIK3CAL3MBTL1
SCHEMBL30753359 0.71 HTR2C (0.47) HTR2CPIK3R1PIK3CAL3MBTL1
SCHEMBL27225403 0.68 NUDT1 (0.37) HTR2CPIK3R1PIK3CA
SCHEMBL30753350 0.68 HTR2C (0.67) HTR2CPIK3R1PIK3CAL3MBTL1
SCHEMBL15760259 0.66 HRH4 (0.46) HTR2CPIK3R1PIK3CA
SCHEMBL31038551 0.66 HTR2C (0.41) HTR2CPIK3R1PIK3CA
SCHEMBL30856617 0.64 HTR2C (0.42) HTR2CPIK3R1PIK3CA
SCHEMBL16094859 0.61 PIK3CA (0.60) HTR2CPIK3R1PIK3CA

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
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed