SCHEMBL28022480

SCHEMBL28022480

CC(C)(C)C(=O)ON1CCC[C@@H](n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.66
LCK P06239 8/20 0.66
TEK Q02763 8/20 0.66
BTK Q06187 7/20 0.66
KDR P35968 5/20 0.66
EGFR P00533 3/20 0.66
FYN P06241 2/20 0.66
LYN P07948 2/20 0.66
CSK P41240 2/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
RGS12 O14924 1/20 0.66
NPC1 O15118 1/20 0.66
GMNN O75496 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66

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
SCHEMBL27379838 0.94 SRC (0.67) SRCLCKTEKBTKKDR
SCHEMBL28022093 0.92 BTK (0.55) SRCLCKTEKBTKKDR
SCHEMBL28022043 0.91 SRC (0.69) SRCLCKTEKBTKKDR
SCHEMBL28307544 0.86 SRC (0.64) SRCEGFRABL1
SCHEMBL15516942 0.86 SRC (0.79) SRCLCKTEKBTKKDR
SCHEMBL13858297 0.86 SRC (0.79) SRCLCKTEKBTKKDR
SCHEMBL7021862 0.85 SRC (0.70) SRCLCKTEKBTKKDR
SCHEMBL28022460 0.85 LCK (0.68) LCKTEKBTKKDR
SCHEMBL13858162 0.84 LCK (0.74) SRCLCKTEKBTKKDR
SCHEMBL15719963 0.84 BTK (0.75) SRCLCKTEKBTKKDR

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
CN-104854107-A Pyrrolopyrimidine compounds as kinase inhibitors PHARMACYCLICS INC 2015-08-19 CN disclosed