SCHEMBL7023764

SCHEMBL7023764

COc1ccc(-c2cn(C3CCN(OC(=O)O)CC3)c3ncnc(N)c23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.71
EGFR P00533 5/20 0.71
ABL1 P00519 4/20 0.71
ABL2 P42684 4/20 0.71
RIPK2 O43353 11/20 0.71
LCK P06239 2/20 0.58
KDR P35968 2/20 0.58
TEK Q02763 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
RGS12 O14924 1/20 0.58
NPC1 O15118 1/20 0.58
GMNN O75496 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
FYN P06241 1/20 0.58
LYN P07948 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL7019643 0.94 SRC (0.69) SRCEGFRABL1ABL2RIPK2
SCHEMBL7024626 0.89 SRC (0.70) SRCEGFRABL1ABL2RIPK2
SCHEMBL7023217 0.89 SRC (0.71) SRCEGFRABL1ABL2RIPK2
SCHEMBL7019158 0.89 ABL1 (0.74) SRCEGFRABL1ABL2RIPK2
SCHEMBL7021401 0.88 SRC (0.73) SRCEGFRABL1ABL2RIPK2
SCHEMBL7014659 0.84 ABL1 (0.72) SRCEGFRABL1ABL2LCK
SCHEMBL7027959 0.84 SRC (0.66) SRCEGFRABL1ABL2RIPK2
SCHEMBL7013342 0.83 SRC (0.67) SRCEGFRABL1ABL2RIPK2
SCHEMBL7023086 0.83 SRC (0.76) SRCEGFRABL1ABL2RIPK2
SCHEMBL28022043 0.83 SRC (0.69) SRCEGFRABL1LCKKDR

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
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP disclosed