SCHEMBL5067752

SCHEMBL5067752

CC(C)c1ccc2c(Nc3cc(OCCc4cccc(Br)c4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.57
AKT2 P31751 1/20 0.57
EGFR P00533 4/20 0.36
FBP1 P09467 1/20 0.34

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
SCHEMBL810694 0.93 PIM1 (0.61) PIM1AKT2EGFR
SCHEMBL5064931 0.92 PIM1 (0.59) PIM1AKT2EGFR
SCHEMBL5065555 0.90 PIM1 (0.70) PIM1AKT2EGFRFBP1
SCHEMBL5061756 0.88 PIM1 (0.54) PIM1AKT2EGFR
SCHEMBL810232 0.87 PIM1 (0.57) PIM1AKT2EGFR
SCHEMBL810039 0.86 PIM1 (0.62) PIM1AKT2EGFR
SCHEMBL4976018 0.86 PIM1 (0.54) PIM1AKT2EGFRFBP1
SCHEMBL810944 0.86 PIM1 (0.64) PIM1AKT2EGFR
SCHEMBL811615 0.85 PIM1 (0.55) PIM1AKT2EGFR
SCHEMBL821092 0.84 PIM1 (0.57) PIM1AKT2EGFR

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-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed