SCHEMBL6876291

SCHEMBL6876291

CCN(CC)Cc1ccccc1Oc1ccc(-c2cn(C3CCOC3)c3ncnc(N)c23)cc1.N#Cc1ccccc1Oc1ccc(-c2cn(C3CCOC3)c3ncnc(N)c23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.62
TEK Q02763 13/20 0.62
SRC P12931 10/20 0.62
KDR P35968 9/20 0.57
BTK Q06187 6/20 0.57
FYN P06241 3/20 0.57
FLT3 P36888 3/20 0.57
RET P07949 2/20 0.57
FLT1 P17948 2/20 0.57
NTRK3 Q16288 2/20 0.57
NTRK2 Q16620 2/20 0.57
AURKB Q96GD4 2/20 0.57
PDGFRB P09619 1/20 0.57
PDGFRA P16234 1/20 0.57
LTK P29376 1/20 0.57
MAP2K2 P36507 1/20 0.57
CDK8 P49336 1/20 0.57
MAP2K1 Q02750 1/20 0.57
ACVR1 Q04771 1/20 0.57
TNK2 Q07912 1/20 0.57

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
SCHEMBL6463346 0.94 LCK (0.70) LCKTEKSRCKDRBTK
SCHEMBL6468048 0.90 LCK (0.76) LCKTEKSRCKDRBTK
SCHEMBL6465585 0.85 LCK (0.75) LCKTEKSRCKDRBTK
SCHEMBL6868901 0.85 LCK (0.56) LCKTEKSRCKDRBTK
SCHEMBL6861341 0.81 LCK (0.60) LCKTEKSRCKDRBTK
SCHEMBL6462777 0.80 LCK (0.71) LCKTEKSRCKDRBTK
SCHEMBL6463877 0.79 LCK (0.70) LCKTEKSRCKDRBTK
SCHEMBL6461479 0.79 LCK (0.67) LCKTEKSRCKDRBTK
SCHEMBL6461041 0.78 LCK (1.00) LCKTEKSRCKDRBTK
SCHEMBL6463412 0.78 LCK (0.76) LCKTEKSRCKDRBTK

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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed