SCHEMBL4554092

SCHEMBL4554092

CC1(C)OB(c2ccc(N)c(CNc3cnccc3N3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)O)C3)n2)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 12/20 0.32
PIM3 Q86V86 8/20 0.32
PIM1 P11309 4/20 0.32
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
SCHEMBL11907357 0.87 PIM2 (0.44) PIM2PIM3PIM1
SCHEMBL4555400 0.82 PIM2 (0.34) PIM2PIM3PIM1
SCHEMBL4554934 0.80 BTK (0.42) PIM2PIM3PIM1USP30
SCHEMBL1710280 0.79 MAPT (0.36) PIM2PIM3PIM1
SCHEMBL11898914 0.79 MAPT (0.36) PIM2PIM3PIM1
SCHEMBL4433671 0.79 MAPT (0.36) PIM2PIM3PIM1
SCHEMBL11907424 0.76 PIM2 (0.47) PIM2PIM3PIM1
SCHEMBL11906999 0.76 PIM2 (0.47) PIM2PIM3PIM1
SCHEMBL3434075 0.74 KDM4E (0.34) PIM2PIM3PIM1USP30
SCHEMBL4438265 0.72 PIM2 (0.47) PIM2PIM3PIM1

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-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed