SCHEMBL4063453

SCHEMBL4063453

C1=Cc2ccccc2C2C=NSC2=C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31

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
SCHEMBL4287880 0.71 HTR2A (0.32) HTR2A
SCHEMBL4958308 0.69 HTR2A (0.33) HTR2A
SCHEMBL19690786 0.68 HTR2A (0.32) HTR2A
SCHEMBL4295979 0.63 HTR2A (0.31) HTR2A
SCHEMBL6835993 0.63 KDM4E (0.30) HTR2A
SCHEMBL8330852 0.60 HTR2A (0.36) HTR2A
SCHEMBL10849998 0.59 HTR2A (0.32) HTR2A
SCHEMBL2290547 0.58 HTR2A (0.39) HTR2A
SCHEMBL8197562 0.58
SCHEMBL9929810 0.58 HTR2A (0.32) HTR2A

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-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed