Sugi Predict

Sugi Predict / Compounds / SCHEMBL3395313

SCHEMBL3395313

SCHEMBL3395313

CC(C)S(=O)(=O)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1.Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1ccc(S(=O)(=O)C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.62
▸ BCR P11274 19/20 0.62
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL3398529 0.91 ABL1 (0.47) ABL1BCR
SCHEMBL3400145 0.90 ABL1 (0.76) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3395318 0.87 ABL1 (0.61) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3401859 0.81 ABL1 (0.52) ABL1BCR
SCHEMBL3397912 0.80 ABL1 (0.61) ABL1BCRMAPT
SCHEMBL3400278 0.80 ABL1 (0.80) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3400309 0.79 ABL1 (0.48) ABL1BCR
SCHEMBL29533367 0.79 ABL1 (0.79) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16363365 0.79 ABL1 (0.79) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16127577 0.78 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 2 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