SCHEMBL7019170

SCHEMBL7019170

COc1cccc(-c2cn(C3CCN(CCOCCN)CC3)c3ncnc(N)c23)c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.79
ABL1 P00519 18/20 0.79
ABL2 P42684 18/20 0.79
SRC P12931 17/20 0.79
LCK P06239 5/20 0.75
KDR P35968 1/20 0.56
TEK Q02763 1/20 0.56
LYN P07948 1/20 0.56

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
SCHEMBL8107295 0.91 EGFR (0.86) EGFRABL1ABL2SRCLCK
SCHEMBL7017930 0.90 SRC (0.68) EGFRABL1ABL2SRCLCK
SCHEMBL7015822 0.88 ABL1 (0.77) EGFRABL1ABL2SRCLCK
SCHEMBL8107232 0.88 ABL1 (0.78) EGFRABL1ABL2SRCLCK
SCHEMBL7021384 0.88 EGFR (1.00) EGFRABL1ABL2SRCLCK
SCHEMBL7019209 0.88 SRC (0.66) EGFRABL1ABL2SRCLCK
SCHEMBL14040727 0.86 ABL1 (1.00) EGFRABL1ABL2SRCLCK
SCHEMBL7023975 0.85 EGFR (0.76) EGFRABL1ABL2SRCLCK
SCHEMBL14040738 0.85 ABL1 (1.00) EGFRABL1ABL2SRCLCK
SCHEMBL7020293 0.83 ABL1 (0.87) EGFRABL1ABL2SRCLCK

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