SCHEMBL8107232

SCHEMBL8107232

COCCN1CCC(n2cc(-c3cccc(OC)c3)c3c(N)ncnc32)C1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.78
EGFR P00533 19/20 0.78
ABL2 P42684 19/20 0.78
SRC P12931 17/20 0.78
LCK P06239 4/20 0.78
IGF1R P08069 1/20 0.62

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 0.95 EGFR (0.86) ABL1EGFRABL2SRCLCK
SCHEMBL7023975 0.90 EGFR (0.76) ABL1EGFRABL2SRCLCK
SCHEMBL8098865 0.90 ABL1 (0.76) ABL1EGFRABL2SRCLCK
SCHEMBL8108644 0.89 SRC (0.67) ABL1EGFRABL2SRCLCK
SCHEMBL8098878 0.89 SRC (0.63) ABL1EGFRABL2SRCLCK
SCHEMBL7019170 0.88 EGFR (0.79) ABL1EGFRABL2SRCLCK
SCHEMBL14040727 0.87 ABL1 (1.00) ABL1EGFRABL2SRCLCK
SCHEMBL7015214 0.87 ABL1 (0.79) ABL1EGFRABL2SRCLCK
SCHEMBL8114099 0.86 ABL1 (0.73) ABL1EGFRABL2SRCLCK
SCHEMBL7022376 0.86 ABL1 (0.69) 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 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