SCHEMBL1716644

SCHEMBL1716644

CC(C)c1ccc2c(Nc3cc(C(=O)N(F)c4ccccc4)ccc3Sc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)ncnc2n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
AKT2 P31751 1/20 0.36
ABL1 P00519 1/20 0.35
KIT P10721 1/20 0.35
EPHX2 P34913 1/20 0.33
XIAP P98170 1/20 0.31
MAPK14 Q16539 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL1455376 0.86 ABL1 (0.38) PIM1AKT2ABL1KITEPHX2
SCHEMBL1454005 0.85 PIM1 (0.35) PIM1AKT2ABL1KIT
SCHEMBL1455165 0.85 PIM1 (0.35) PIM1AKT2ABL1KITEPHX2
SCHEMBL1455238 0.85 PIM1 (0.37) PIM1AKT2ABL1KITEPHX2
SCHEMBL1454621 0.84 PIM1 (0.38) PIM1AKT2ABL1KITEPHX2
SCHEMBL1455017 0.84 PIM1 (0.35) PIM1AKT2ABL1KIT
SCHEMBL1454931 0.84 PIM1 (0.37) PIM1AKT2ABL1KITEPHX2
SCHEMBL1454647 0.84 ABL1 (0.35) PIM1AKT2ABL1KITKDR
SCHEMBL1455175 0.83 BRAF (0.37)
SCHEMBL1454064 0.83 ABL1 (0.37) PIM1AKT2ABL1KITEPHX2

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
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed