SCHEMBL7017930

SCHEMBL7017930

COc1ccc(-c2cn(C3CCN(CCOCCN)CC3)c3ncnc(N)c23)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.68
ABL1 P00519 7/20 0.68
EGFR P00533 7/20 0.68
ABL2 P42684 7/20 0.68
RIPK2 O43353 8/20 0.66
LCK P06239 3/20 0.60
KDR P35968 1/20 0.55
TEK Q02763 1/20 0.55
HCK P08631 1/20 0.55

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
SCHEMBL8112551 0.91 SRC (0.73) SRCABL1EGFRABL2RIPK2
SCHEMBL7019170 0.90 EGFR (0.79) SRCABL1EGFRABL2LCK
SCHEMBL7017312 0.89 SRC (0.65) SRCABL1EGFRABL2RIPK2
SCHEMBL7019209 0.89 SRC (0.66) SRCABL1EGFRABL2RIPK2
SCHEMBL7019630 0.88 SRC (0.81) SRCABL1EGFRABL2RIPK2
SCHEMBL8108644 0.87 SRC (0.67) SRCABL1EGFRABL2RIPK2
SCHEMBL8108575 0.86 SRC (0.71) SRCABL1EGFRABL2RIPK2
SCHEMBL8098888 0.84 SRC (0.65) SRCABL1EGFRABL2RIPK2
SCHEMBL22845296 0.83 HCK (0.80) SRCABL1EGFRLCKKDR
SCHEMBL22845563 0.83 HCK (0.80) SRCABL1EGFRLCKKDR

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