SCHEMBL6202416

SCHEMBL6202416

Cn1ncc(Br)c1-c1cccc(NN(C=O)Cc2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.46
HTR2C P28335 10/20 0.40
AKT1 P31749 3/20 0.37
PTK2 Q05397 2/20 0.34
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32

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
SCHEMBL6199131 0.91 HTR2A (0.48) HTR2AHTR2CGAASMN1; SMN2
SCHEMBL6199380 0.89 HTR2A (0.47) HTR2AHTR2C
SCHEMBL6198210 0.85 HTR2A (0.44) HTR2AHTR2CKMT2ASMN1; SMN2
SCHEMBL6199455 0.83 HTR2A (0.43) HTR2AHTR2CSMN1; SMN2
SCHEMBL6196599 0.83 HTR2A (0.48) HTR2AHTR2CAKT1PTK2GAA
SCHEMBL2958214 0.80 L3MBTL1 (0.47) HTR2AHTR2CKMT2ASMN1; SMN2EGFR
SCHEMBL6199782 0.79 HTR2A (0.46) HTR2AHTR2CGAA
SCHEMBL5946773 0.76 HTR2A (0.57) HTR2AHTR2CAKT1PTK2
SCHEMBL6201224 0.76 HTR2A (0.48) HTR2AHTR2CAKT1GAASMN1; SMN2
SCHEMBL6196368 0.74 HTR2A (0.58) HTR2AHTR2CAKT1GAASMN1; SMN2

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-1509505-A2 SMALL MOLECULE MODULATORS OF THE 5−HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-03-02 EP claimed
WO-2003062206-A2 SMALL MOLECULE MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2003-07-31 WO claimed