SCHEMBL7014659

SCHEMBL7014659

COc1cccc(-c2cn(C3CCN(OC(=O)O)C3)c3ncnc(N)c23)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.72
EGFR P00533 18/20 0.72
ABL2 P42684 18/20 0.72
SRC P12931 15/20 0.72
LCK P06239 3/20 0.60
FGFR1 P11362 1/20 0.59
FGFR4 P22455 1/20 0.59
KDR P35968 1/20 0.57
TEK Q02763 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
SCHEMBL7019158 0.95 ABL1 (0.74) ABL1EGFRABL2SRCLCK
SCHEMBL7019643 0.90 SRC (0.69) ABL1EGFRABL2SRCFGFR1
SCHEMBL7023375 0.90 SRC (0.78) ABL1EGFRABL2SRCLCK
SCHEMBL7013342 0.88 SRC (0.67) ABL1EGFRABL2SRCLCK
SCHEMBL7025034 0.84 EGFR (0.75) ABL1EGFRABL2SRCLCK
SCHEMBL7023764 0.84 SRC (0.71) ABL1EGFRABL2SRCLCK
SCHEMBL7020293 0.84 ABL1 (0.87) ABL1EGFRABL2SRCLCK
SCHEMBL7023792 0.83 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7013351 0.83 ABL1 (0.72) ABL1EGFRABL2SRCLCK
SCHEMBL7027959 0.83 SRC (0.66) ABL1EGFRABL2SRCKDR

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