SCHEMBL3396847

SCHEMBL3396847

Cn1c(C(=O)NC(=O)C2CCNCC2)cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.50
BCR P11274 18/20 0.50
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43

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
SCHEMBL3399470 0.91 ABL1 (0.47) ABL1BCR
SCHEMBL3401524 0.83 ABL1 (0.56) ABL1BCRTTBK1TTBK2
SCHEMBL16331109 0.81 ABL1 (0.62) ABL1BCRTTBK1TTBK2
SCHEMBL3398709 0.81 ABL1 (0.62) ABL1BCRTTBK1TTBK2
SCHEMBL3400258 0.81 ABL1 (0.64) ABL1BCR
SCHEMBL3401934 0.80 SUV39H1 (0.51) ABL1BCRTTBK1TTBK2
SCHEMBL3396839 0.79 ABL1 (0.55) ABL1BCR
SCHEMBL3403375 0.78 ABL1 (0.56) ABL1BCR
SCHEMBL13821120 0.78 ABL1 (0.56) ABL1BCR
SCHEMBL3399944 0.78 ABL1 (0.58) ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222162-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute (US) 2010-09-01 EP claimed
WO-2009073153-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INSTITUTE (US) 2009-06-11 WO claimed
EP-2222162-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute (US) 2010-09-01 EP disclosed
WO-2009073153-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INSTITUTE (US) 2009-06-11 WO disclosed