SCHEMBL1716746

SCHEMBL1716746

CC(C)c1ccc2c(Nc3cc(C(=O)NNc4ccc(Br)cc4)ccc3Sc3ccc(NC(=O)OCC(Cl)(Cl)Cl)cc3)ncnc2n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
AKT2 P31751 1/20 0.39
KDR P35968 5/20 0.33
EGFR P00533 2/20 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
SCHEMBL1454418 0.95 PIM1 (0.39) PIM1AKT2KDREGFR
SCHEMBL1717121 0.91 PIM1 (0.37) PIM1AKT2KDR
SCHEMBL1455351 0.90 PIM1 (0.37) PIM1AKT2KDR
SCHEMBL1455350 0.89 PIM1 (0.39) PIM1AKT2KDR
SCHEMBL1454998 0.88 PIM1 (0.38) PIM1AKT2KDR
SCHEMBL1454273 0.86 PIM1 (0.38) PIM1AKT2
SCHEMBL1455126 0.86 HPGDS (0.35) PIM1AKT2KDR
SCHEMBL1455257 0.86 PIM1 (0.36) PIM1AKT2
SCHEMBL1455069 0.86 PIM1 (0.41) PIM1AKT2KDREGFR
SCHEMBL1455352 0.86 PIM1 (0.37) PIM1AKT2KDREGFR

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
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed