SCHEMBL8108575

SCHEMBL8108575

COc1ccc(-c2cn(C3CCN(CCN4CCOCC4)CC3)c3ncnc(N)c23)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.71
ABL1 P00519 7/20 0.71
EGFR P00533 7/20 0.71
ABL2 P42684 7/20 0.71
RIPK2 O43353 8/20 0.69
LCK P06239 4/20 0.63
TEK Q02763 2/20 0.63
HCK P08631 1/20 0.63
KDR P35968 1/20 0.58

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
SCHEMBL8098888 0.95 SRC (0.65) SRCABL1EGFRABL2RIPK2
SCHEMBL7019630 0.90 SRC (0.81) SRCABL1EGFRABL2RIPK2
SCHEMBL8112551 0.90 SRC (0.73) SRCABL1EGFRABL2RIPK2
SCHEMBL8108273 0.87 SRC (0.70) SRCABL1EGFRABL2RIPK2
SCHEMBL8114235 0.87 SRC (0.71) SRCABL1EGFRABL2RIPK2
SCHEMBL7017930 0.86 SRC (0.68) SRCABL1EGFRABL2RIPK2
SCHEMBL7018756 0.86 SRC (0.65) SRCABL1EGFRABL2RIPK2
SCHEMBL7023975 0.85 EGFR (0.76) SRCABL1EGFRABL2LCK
SCHEMBL8108644 0.84 SRC (0.67) SRCABL1EGFRABL2RIPK2
SCHEMBL8098913 0.83 SRC (0.63) SRCABL1EGFRABL2RIPK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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