SCHEMBL4436044

SCHEMBL4436044

Nc1cnccc1N1CC(F)CC(NC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.39
MAPT P10636 2/20 0.38
PIM2 Q9P1W9 10/20 0.38
PIM1 P11309 7/20 0.38
PIM3 Q86V86 6/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CYP46A1 Q9Y6A2 3/20 0.35
CFD P00746 1/20 0.33

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
SCHEMBL11899628 1.00 CHRM4 (0.39) CHRM4MAPTPIM2PIM1PIM3
SCHEMBL15103699 1.00 CHRM4 (0.39) CHRM4MAPTPIM2PIM1PIM3
SCHEMBL15103598 1.00 CHRM4 (0.39) CHRM4MAPTPIM2PIM1PIM3
SCHEMBL6526198 1.00 CHRM4 (0.39) CHRM4MAPTPIM2PIM1PIM3
SCHEMBL3227034 0.91 MAPT (0.42) CHRM4MAPTPIM2PIM1PIM3
SCHEMBL2691577 0.87 PIM2 (0.43) CHRM4PIM2PIM1PIM3
SCHEMBL15873228 0.87 PIM2 (0.43) CHRM4PIM2PIM1PIM3
SCHEMBL15873466 0.87 PIM2 (0.43) CHRM4PIM2PIM1PIM3
SCHEMBL13736950 0.86 PIM2 (0.41) CHRM4MAPTPIM2PIM1PIM3
SCHEMBL1710543 0.86 PIM2 (0.41) CHRM4MAPTPIM2PIM1PIM3

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-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
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