SCHEMBL25865888

SCHEMBL25865888

FC(F)(F)C(F)(F)CC1C=C(c2c[nH]c3ncccc23)CNC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HTR2B P41595 1/20 0.61
CDC7 O00311 7/20 0.39
MAP4K4 O95819 5/20 0.39
PRKACA P17612 5/20 0.39
GSK3B P49841 5/20 0.39
HIPK2 Q9H2X6 5/20 0.39
CDK2 P24941 5/20 0.39
PIM1 P11309 4/20 0.39
IRAK4 Q9NWZ3 4/20 0.39
CLK4 Q9HAZ1 3/20 0.39
ROCK2 O75116 3/20 0.39
IKBKE Q14164 2/20 0.38
DYRK1A Q13627 2/20 0.38
CDK9 P50750 2/20 0.38
CDK5 Q00535 2/20 0.38
TBK1 Q9UHD2 1/20 0.38
DAPK3 O43293 1/20 0.38
FLT3 P36888 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
SCHEMBL25865837 0.89 HTR2A (0.65) HTR2AHTR2CHTR2BCDC7MAP4K4
SCHEMBL30509693 0.83 HTR2A (0.68) HTR2AHTR2CHTR2BCDC7MAP4K4
SCHEMBL25865698 0.83 HTR2A (0.68) HTR2AHTR2CHTR2BCDC7MAP4K4
SCHEMBL25865890 0.80 HTR2A (0.45) HTR2AHTR2CHTR2BCDC7MAP4K4
SCHEMBL25429922 0.77 HTR2A (1.00) HTR2AHTR2CHTR2BCDC7MAP4K4
SCHEMBL30532644 0.77 HTR2A (1.00) HTR2AHTR2CHTR2BCDC7MAP4K4
SCHEMBL30532650 0.77 HTR2A (1.00) HTR2AHTR2CHTR2BCDC7MAP4K4
SCHEMBL26646622 0.77 HTR2A (1.00) HTR2AHTR2CHTR2BCDC7MAP4K4
SCHEMBL30509688 0.77 HTR2A (1.00) HTR2AHTR2CHTR2BCDC7MAP4K4
SCHEMBL26646654 0.77 HTR2A (1.00) HTR2AHTR2CHTR2BCDC7MAP4K4

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-2023141225-A1 FUSED HETEROCYCLES AS 5-HT2A RECEPTOR AGONISTS ONSERO THERAPEUTICS INC. (US) 2023-07-27 WO disclosed