SCHEMBL7018115

SCHEMBL7018115

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 1.00
EGFR P00533 20/20 1.00
ABL2 P42684 20/20 1.00
SRC P12931 18/20 1.00
LCK P06239 5/20 0.80

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
SCHEMBL7020293 0.91 ABL1 (0.87) ABL1EGFRABL2SRCLCK
SCHEMBL7016766 0.91 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7020345 0.90 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7020520 0.89 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7023792 0.87 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7021384 0.85 EGFR (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7014978 0.85 ABL1 (0.92) ABL1EGFRABL2SRCLCK
SCHEMBL14040737 0.84 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL8107295 0.84 EGFR (0.86) ABL1EGFRABL2SRCLCK
SCHEMBL7019158 0.83 ABL1 (0.74) 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 2 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