SCHEMBL7019158

SCHEMBL7019158

COc1cccc(-c2cn(C3CCN(OC(=O)O)CC3)c3ncnc(N)c23)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.74
EGFR P00533 17/20 0.74
ABL2 P42684 17/20 0.74
SRC P12931 14/20 0.74
LCK P06239 4/20 0.64
KDR P35968 1/20 0.61
TEK Q02763 1/20 0.61
IGF1R P08069 1/20 0.58
RIPK2 O43353 1/20 0.57

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
SCHEMBL7014659 0.95 ABL1 (0.72) ABL1EGFRABL2SRCLCK
SCHEMBL7025034 0.89 EGFR (0.75) ABL1EGFRABL2SRCLCK
SCHEMBL7023764 0.89 SRC (0.71) ABL1EGFRABL2SRCLCK
SCHEMBL7013351 0.88 ABL1 (0.72) ABL1EGFRABL2SRCLCK
SCHEMBL7023217 0.88 SRC (0.71) ABL1EGFRABL2SRCLCK
SCHEMBL7023842 0.88 RIPK2 (0.68) ABL1EGFRABL2SRCLCK
SCHEMBL7020293 0.87 ABL1 (0.87) ABL1EGFRABL2SRCLCK
SCHEMBL7016766 0.85 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL12856462 0.85 EGFR (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7020345 0.84 ABL1 (1.00) ABL1EGFRABL2SRCLCK

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