SCHEMBL4416345

SCHEMBL4416345

Nc1[nH]c(Nc2cccc(OCCN3CCOCC3)c2)nc2ncnc1-2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.48
SYK P43405 2/20 0.46
EGFR P00533 1/20 0.44
BTK Q06187 1/20 0.44
EPHX2 P34913 4/20 0.43
PRKCQ Q04759 2/20 0.43
AIMP2 Q13155 1/20 0.43
MAPK14 Q16539 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
KDR P35968 1/20 0.42
LTA4H P09960 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
SCHEMBL4423422 0.81 AXL (0.50) LTA4H
SCHEMBL12708359 0.79 SRC (0.52) SRCSYKEGFRBTKEPHX2
SCHEMBL1325549 0.79 IRAK4 (0.45) EGFRBTKEPHX2AURKARPS6KB1
SCHEMBL352581 0.79 IRAK4 (0.45) EGFRBTKEPHX2AURKARPS6KB1
SCHEMBL14578174 0.78 EPHX2 (0.61) SRCSYKEPHX2KDM4ETP53
SCHEMBL4412618 0.77 EGFR (0.49) SRCEGFRMAPK14KDR
SCHEMBL4414478 0.74 PLAU (0.39) SYKEGFRTSHR
SCHEMBL4411964 0.74 TTBK1 (0.49) SRCSYKEGFRAURKARPS6KB1
SCHEMBL3459161 0.74 SRC (0.57) SRCSYKEGFRBTKEPHX2
SCHEMBL3459344 0.74 SRC (0.59) SRCSYKEGFRBTKEPHX2

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-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed