SCHEMBL7700357

SCHEMBL7700357

CC(c1ccccc1)n1cc(C(N)=O)c2c(N)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.47
ADK P55263 1/20 0.46
LCK P06239 5/20 0.45
KDR P35968 4/20 0.45
TEK Q02763 3/20 0.45
RET P07949 5/20 0.44
PDPK1 O15530 2/20 0.43
FYN P06241 2/20 0.43
PDGFRB P09619 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PRKDC P78527 2/20 0.42
ABL1 P00519 2/20 0.42
EGFR P00533 2/20 0.42
HCK P08631 1/20 0.42
MTOR P42345 1/20 0.42
EPHB4 P54760 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
PIK3CG P48736 1/20 0.41

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
SCHEMBL16747748 0.83 RET (0.58) SRCADKLCKKDRTEK
SCHEMBL7701691 0.77 KDR (0.49) SRCADKLCKKDRTEK
SCHEMBL19732639 0.75 RET (0.58) SRCLCKKDRTEKRET
SCHEMBL6223045 0.74 PDGFRB (0.57) SRCLCKKDRTEKRET
SCHEMBL18100426 0.73 ADK (0.55) SRCADKLCKKDRRET
SCHEMBL7701218 0.72 RET (0.52) SRCADKLCKKDRTEK
SCHEMBL13269011 0.72 ADORA2A (0.65) PIK3CDEGFRPI4KB
SCHEMBL13268766 0.72 ADORA2A (0.65) PIK3CDEGFRPI4KB
SCHEMBL1942060 0.72 PDGFRB (0.66) SRCLCKKDRTEKRET
SCHEMBL7701013 0.71 ADORA2A (0.53) SRCADKLCKKDRTEK

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