SCHEMBL3434075

SCHEMBL3434075

CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccncc2[AsH2])C[C@H]1NC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
GPR119 Q8TDV5 3/20 0.32
CYP46A1 Q9Y6A2 5/20 0.32
SSTR4 P31391 1/20 0.32
PIM1 P11309 2/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ROCK1 Q13464 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31
GSK3A P49840 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL11898914 0.89 MAPT (0.36) KDM4EGPR119CYP46A1SSTR4PIM1
SCHEMBL4433671 0.89 MAPT (0.36) KDM4EGPR119CYP46A1SSTR4PIM1
SCHEMBL1710280 0.89 MAPT (0.36) KDM4EGPR119CYP46A1SSTR4PIM1
SCHEMBL4444653 0.85 MAPT (0.39)
SCHEMBL11898761 0.85 MAPT (0.39)
SCHEMBL11898762 0.85 MAPT (0.39)
SCHEMBL4444646 0.85 MAPT (0.39)
SCHEMBL4444713 0.85 MAPT (0.39)
SCHEMBL4444705 0.85 MAPT (0.39)
SCHEMBL4438024 0.81 MAPT (0.36) KDM4EPIM1PIM3PIM2

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-2262802-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2010-12-22 EP disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 WO disclosed