SCHEMBL6527273

SCHEMBL6527273

Brc1cn2ccnc2c([CH]c2ccncc2)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 1/20 0.35
DYRK1A Q13627 2/20 0.33
NUDT1 P36639 1/20 0.33

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
SCHEMBL15956956 0.71 AURKA (0.50) HTR2C
SCHEMBL103894 0.70 HTR2C (0.53) HTR2CL3MBTL1ADORA2ANUDT1
SCHEMBL5486787 0.69 EPHB4 (0.45) HTR2CL3MBTL1ADORA2ADYRK1A
SCHEMBL5488996 0.69 HTR2C (0.40) HTR2CL3MBTL1ADORA2ADYRK1ANUDT1
SCHEMBL5489000 0.68 EPHB4 (0.53)
SCHEMBL5481710 0.68 HTR2C (0.48) HTR2CL3MBTL1ADORA2ADYRK1ANUDT1
SCHEMBL24386932 0.67 HTR2C (0.50) HTR2CL3MBTL1NUDT1
SCHEMBL9970925 0.67 HTR2C (0.50) HTR2CL3MBTL1NUDT1
SCHEMBL19865160 0.67 L3MBTL1 (0.53) HTR2CL3MBTL1ADORA2ANUDT1
SCHEMBL5477688 0.67 NUDT1 (0.55) HTR2CL3MBTL1ADORA2ADYRK1ANUDT1

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-2005019220-A2 SUBSTITUTED IMIDAZO[1,2-A]PYRAZINES AS MODULATORS OF KINASE ACTIVITY CELLULAR GENOMICS INC. (US) 2005-03-03 WO disclosed