SCHEMBL7017741

SCHEMBL7017741

COc1cccc(-c2cn(C3CCN(CCn4ccnc4)CC3)c3ncnc(N)c23)c1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.75
SRC P12931 17/20 0.75
ABL1 P00519 17/20 0.75
ABL2 P42684 17/20 0.75
LCK P06239 5/20 0.70
LYN P07948 1/20 0.54
KDR P35968 1/20 0.54
TEK Q02763 1/20 0.54

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
SCHEMBL7022376 0.95 ABL1 (0.69) EGFRSRCABL1ABL2LCK
SCHEMBL7018756 0.90 SRC (0.65) EGFRSRCABL1ABL2LCK
SCHEMBL7016791 0.88 ABL1 (0.75) EGFRSRCABL1ABL2LCK
SCHEMBL7018218 0.87 SRC (0.64) EGFRSRCABL1ABL2LCK
SCHEMBL8107295 0.86 EGFR (0.86) EGFRSRCABL1ABL2LCK
SCHEMBL7021384 0.86 EGFR (1.00) EGFRSRCABL1ABL2LCK
SCHEMBL7015260 0.85 SRC (0.60) EGFRSRCABL1ABL2LCK
SCHEMBL7022341 0.83 ABL1 (0.69) EGFRSRCABL1ABL2LCK
SCHEMBL7019170 0.83 EGFR (0.79) EGFRSRCABL1ABL2LCK
SCHEMBL7023975 0.83 EGFR (0.76) EGFRSRCABL1ABL2LCK

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
US-6051577-A TYROSINE INHIBITORS; BONE DISORDERS NOVARTIS AG (CH) 2000-04-18 US disclosed