SCHEMBL6041054

SCHEMBL6041054

COc1cccc(-n2cc(-c3cccc(OCCNCCO)c3)c3ncnc(N)c32)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.67
ABL1 P00519 7/20 0.56
EGFR P00533 7/20 0.56
ABL2 P42684 7/20 0.56
CDK1 P06493 2/20 0.52
TSHR P16473 1/20 0.46
MPO P05164 1/20 0.45
TPO P07202 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL8820786 0.94 SRC (0.65) SRCABL1EGFRABL2CDK1
SCHEMBL7845672 0.86 SRC (0.89) SRCABL1EGFRABL2CDK1
SCHEMBL8820549 0.85 SRC (0.53) SRCABL1EGFRABL2CDK1
SCHEMBL8819623 0.83 SRC (0.61) SRCABL1EGFRABL2CDK1
SCHEMBL8820841 0.82 SRC (0.61) SRCABL1EGFRABL2CDK1
SCHEMBL8820820 0.81 SRC (0.48) SRCABL1EGFRABL2CDK1
SCHEMBL7847645 0.80 SRC (1.00) SRCABL1EGFRABL2CDK1
SCHEMBL8820855 0.79 SRC (0.53) SRCABL1EGFRABL2CDK1
SCHEMBL7841567 0.77 SRC (0.75) SRCABL1EGFRABL2CDK1
SCHEMBL7847554 0.77 SRC (0.80) SRCABL1EGFRABL2CDK1

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-20060030017-A1 Three-dimensional structure of c-Abl FENDRICH GABRIELE 2006-02-09 US disclosed