SCHEMBL7701013

SCHEMBL7701013

NC(=O)c1cn(CCc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.53
SRC P12931 6/20 0.46
ADRA1D P25100 1/20 0.46
LCK P06239 2/20 0.45
TEK Q02763 1/20 0.45
ADORA1 P30542 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
ADK P55263 1/20 0.43
FBP1 P09467 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EGFR P00533 3/20 0.42
ABL1 P00519 2/20 0.42
CDK1 P06493 2/20 0.42
ABL2 P42684 2/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL7701585 0.93 ADRA1D (0.48) ADORA2ASRCADRA1DLCKTEK
SCHEMBL7701506 0.88 ADORA2A (0.53) ADORA2ASRCLCKTEKADORA1
SCHEMBL7701218 0.88 RET (0.52) ADORA2ASRCADRA1DLCKTEK
SCHEMBL7701507 0.82 ADORA2A (0.50) ADORA2ASRCLCKTEKADORA1
SCHEMBL7698006 0.81 EIF2AK3 (0.41) SRCADRA1DADKCFD
SCHEMBL7695714 0.77 ADRA1D (0.51) SRCADRA1DADKEGFRABL1
SCHEMBL7701973 0.77 ADORA2A (0.54) ADORA2ASRCLCKTEKADORA1
SCHEMBL7700881 0.76 CFD (0.45) SRCPIK3CDADKEGFRABL1
SCHEMBL7695931 0.76 ADK (0.46) SRCPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL7700275 0.76 CFD (0.47) ADKCFD

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
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed