SCHEMBL7703250

SCHEMBL7703250

Cc1cccc(Cn2cc(C#N)c3c(N)ncnc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.42
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LRRK2 Q5S007 1/20 0.41
RET P07949 1/20 0.41
LMNA P02545 1/20 0.41
RIPK2 O43353 1/20 0.41
ADK P55263 1/20 0.40
SRC P12931 4/20 0.40
ABL1 P00519 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RIPK1 Q13546 1/20 0.40
PIK3CD O00329 1/20 0.40
EGFR P00533 1/20 0.40
HCK P08631 1/20 0.40
KDR P35968 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
SCHEMBL7698564 0.86 ADK (0.43) CFDADORA2AKDM4ETSHRMAPK1
SCHEMBL7700385 0.86 ADORA2A (0.52) CFDADORA2AKDM4ETSHRMAPK1
SCHEMBL7700961 0.82 PAX8 (0.44) CFDADORA2ARETLMNAALDH1A1
SCHEMBL7700930 0.80 MAPT (0.46) CFDADORA2AKDM4ETSHRMAPK1
SCHEMBL7702542 0.79 CFD (0.43) CFDADORA2AKDM4ETSHRMAPK1
SCHEMBL7700864 0.79 CFD (0.44) CFDADORA2AKDM4EHTTLRRK2
SCHEMBL7695714 0.79 ADRA1D (0.51) CFDKDM4ETSHRMAPK1HTT
SCHEMBL8991101 0.79 RIPK2 (0.42) ADORA2AKDM4ETSHRMAPK1HTT
SCHEMBL7697684 0.79 ADRA1D (0.41) ADORA2AKDM4ETSHRMAPK1HTT
SCHEMBL7701968 0.78 RIPK2 (0.45) CFDRIPK2ADKSRCABL1

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