SCHEMBL7701968

SCHEMBL7701968

COc1ccc(Cn2cc(C#N)c3c(N)ncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.45
SRC P12931 5/20 0.43
EGFR P00533 5/20 0.43
ABL1 P00519 5/20 0.43
ABL2 P42684 3/20 0.43
PDE8B O95263 1/20 0.43
KDR P35968 3/20 0.42
NSD3 Q9BZ95 2/20 0.42
LCK P06239 1/20 0.42
TEK Q02763 1/20 0.42
PIK3CD O00329 1/20 0.41
HCK P08631 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
EPHB4 P54760 1/20 0.41
PRKDC P78527 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
ADK P55263 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
SCHEMBL7698564 0.87 ADK (0.43) RIPK2SRCEGFRABL1KDR
SCHEMBL7700930 0.85 MAPT (0.46) RIPK2SRCEGFRABL1KDR
SCHEMBL7700864 0.84 CFD (0.44) RIPK2SRCEGFRABL1KDR
SCHEMBL7700385 0.84 ADORA2A (0.52) SRCEGFRABL1ABL2PIK3CD
SCHEMBL7696329 0.84 ADK (0.41) SRCEGFRABL1KDRLCK
SCHEMBL20081176 0.80 XDH (0.43) ABL1CYP19A1
SCHEMBL7701985 0.80 SLC29A1 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7705467 0.78 EGFR (0.45) RIPK2SRCEGFRABL1ABL2
SCHEMBL7701895 0.78 EGFR (0.45) RIPK2SRCEGFRABL1ABL2
SCHEMBL7703250 0.78 CFD (0.42) RIPK2SRCEGFRABL1KDR

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
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed