SCHEMBL7701585

SCHEMBL7701585

NC(=O)c1cn(CCCc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.48
ADORA2A P29274 2/20 0.45
SRC P12931 6/20 0.45
IGF1R P08069 1/20 0.44
LCK P06239 2/20 0.43
TEK Q02763 1/20 0.43
ADK P55263 1/20 0.42
EGFR P00533 3/20 0.41
ABL1 P00519 2/20 0.41
CDK1 P06493 2/20 0.41
ABL2 P42684 2/20 0.41
KDR P35968 1/20 0.41
FBP1 P09467 1/20 0.41
ADORA1 P30542 1/20 0.40
PRMT5 O14744 1/20 0.40
METTL3 Q86U44 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CFD P00746 1/20 0.40

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
SCHEMBL7701013 0.93 ADORA2A (0.53) ADRA1DADORA2ASRCIGF1RLCK
SCHEMBL7698006 0.89 EIF2AK3 (0.41) ADRA1DSRCADKCFD
SCHEMBL7701218 0.85 RET (0.52) ADRA1DADORA2ASRCLCKTEK
SCHEMBL7701506 0.81 ADORA2A (0.53) ADORA2ASRCIGF1RLCKTEK
SCHEMBL7699602 0.78 ABCC1 (0.48) ADORA2ASRCIGF1RLCKTEK
SCHEMBL7701571 0.77 ALDH1A1 (0.41) ADORA2ASRCIGF1RLCKTEK
SCHEMBL7699582 0.76 LRRK2 (0.43) ADORA2ASRCIGF1RLCKTEK
SCHEMBL7701507 0.76 ADORA2A (0.50) ADORA2ASRCIGF1RLCKTEK
SCHEMBL7695714 0.75 ADRA1D (0.51) ADRA1DSRCADKEGFRABL1
SCHEMBL7700881 0.74 CFD (0.45) SRCADKEGFRABL1CDK1

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