SCHEMBL7020293

SCHEMBL7020293

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

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.87
EGFR P00533 20/20 0.87
ABL2 P42684 20/20 0.87
SRC P12931 17/20 0.87
LCK P06239 5/20 0.71

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
SCHEMBL7016766 0.93 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7020345 0.92 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7018115 0.91 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7021384 0.88 EGFR (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7014326 0.88 ABL1 (0.86) ABL1EGFRABL2SRCLCK
SCHEMBL7023792 0.87 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7019158 0.87 ABL1 (0.74) ABL1EGFRABL2SRCLCK
SCHEMBL8107295 0.86 EGFR (0.86) ABL1EGFRABL2SRCLCK
SCHEMBL12856462 0.84 EGFR (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7014659 0.84 ABL1 (0.72) 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 3 patents. 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 claimed
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP disclosed
US-6051577-A TYROSINE INHIBITORS; BONE DISORDERS NOVARTIS AG (CH) 2000-04-18 US disclosed