SCHEMBL2074869

SCHEMBL2074869

CC(Sc1cccc(Oc2ccc(-c3cn(C(C)C)c4ncnc(N)c34)cc2)c1C#N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.64
TEK Q02763 12/20 0.64
LCK P06239 9/20 0.63
SRC P12931 2/20 0.58
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
HCK P08631 4/20 0.45
FLT3 P36888 4/20 0.45
BTK Q06187 2/20 0.43
RIPK1 Q13546 1/20 0.42

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
SCHEMBL6461219 0.88 TEK (0.63) KDRTEKLCKSRCPIK3CD
SCHEMBL2075340 0.84 KDR (0.77) KDRTEKLCKSRCPIK3CD
SCHEMBL2073471 0.83 KDR (0.65) KDRTEKLCKSRCPIK3CD
SCHEMBL2075847 0.83 KDR (0.75) KDRTEKLCKSRCPIK3CD
SCHEMBL2073162 0.83 KDR (0.67) KDRTEKLCKSRCPIK3CD
SCHEMBL2074861 0.81 TEK (0.69) KDRTEKLCKSRCPIK3CD
SCHEMBL2072171 0.81 KDR (0.71) KDRTEKLCKSRCPIK3CD
SCHEMBL2075960 0.80 KDR (0.70) KDRTEKLCKSRCPIK3CD
SCHEMBL2074298 0.80 KDR (0.60) KDRTEKLCKSRCPIK3CD
SCHEMBL2075529 0.79 KDR (1.00) KDRTEKLCKSRCPIK3CD

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-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed