SCHEMBL16898415

SCHEMBL16898415

O=C(NCCOCCOCCOCCOCCOCCOCCNC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1)c1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.75
BCR P11274 19/20 0.75
KDM4E B2RXH2 1/20 0.64
MAPT P10636 1/20 0.64
MAPK1 P28482 1/20 0.64

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
SCHEMBL16898735 1.00 ABL1 (0.75) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898654 0.92 ABL1 (0.78) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898190 0.92 ABL1 (0.78) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898602 0.92 ABL1 (0.78) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898475 0.91 ABL1 (0.72) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898538 0.91 ABL1 (0.72) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898701 0.91 ABL1 (0.72) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898494 0.91 ABL1 (0.72) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898548 0.91 ABL1 (0.77) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898729 0.91 ABL1 (0.77) ABL1BCRKDM4EMAPTMAPK1

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
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO claimed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed