SCHEMBL7023217

SCHEMBL7023217

Nc1ncnc2c1c(-c1ccccc1)cn2C1CCN(OC(=O)O)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.71
EGFR P00533 10/20 0.69
ABL1 P00519 7/20 0.69
ABL2 P42684 7/20 0.69
RIPK2 O43353 1/20 0.66
LCK P06239 6/20 0.60
TEK Q02763 5/20 0.60
KDR P35968 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
RGS12 O14924 1/20 0.60
NPC1 O15118 1/20 0.60
GMNN O75496 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
FYN P06241 1/20 0.60
LYN P07948 1/20 0.60
CYP3A4 P08684 1/20 0.60

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
SCHEMBL7013342 0.94 SRC (0.67) SRCEGFRABL1ABL2RIPK2
SCHEMBL7024626 0.92 SRC (0.70) SRCEGFRABL1ABL2RIPK2
SCHEMBL7013351 0.90 ABL1 (0.72) SRCEGFRABL1ABL2LCK
SCHEMBL27382882 0.90 SRC (0.70) SRCEGFRABL1ABL2RIPK2
SCHEMBL7023842 0.90 RIPK2 (0.68) SRCEGFRABL1ABL2RIPK2
SCHEMBL7023764 0.89 SRC (0.71) SRCEGFRABL1ABL2RIPK2
SCHEMBL7020883 0.88 EGFR (0.67) SRCEGFRABL1ABL2RIPK2
SCHEMBL7019158 0.88 ABL1 (0.74) SRCEGFRABL1ABL2RIPK2
SCHEMBL7023282 0.88 SRC (0.72) SRCEGFRABL1ABL2RIPK2
SCHEMBL7027959 0.86 SRC (0.66) SRCEGFRABL1ABL2RIPK2

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