SCHEMBL2582150

SCHEMBL2582150

Cn1ncc(N)c1N1CC[C@H](N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 14/20 0.35
PIM2 Q9P1W9 9/20 0.35
PIM3 Q86V86 7/20 0.35
MAP4K4 O95819 1/20 0.30
MCHR1 Q99705 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL2578052 1.00 PIM1 (0.35) PIM1PIM2PIM3MAP4K4MCHR1
SCHEMBL2578055 1.00 PIM1 (0.35) PIM1PIM2PIM3MAP4K4MCHR1
SCHEMBL2580153 0.93 PIM1 (0.38) PIM1PIM2PIM3
SCHEMBL2580155 0.93 PIM1 (0.38) PIM1PIM2PIM3
SCHEMBL2566137 0.84 MAP4K4 (0.38) PIM1PIM2PIM3MAP4K4MCHR1
SCHEMBL2522549 0.81 PIM1 (0.36) PIM1PIM2PIM3
SCHEMBL2578141 0.81 PIM1 (0.36) PIM1PIM2PIM3
SCHEMBL2520690 0.81 PIM1 (0.36) PIM1PIM2PIM3
SCHEMBL2519748 0.79 PIM1 (0.39) PIM1PIM2PIM3MAP4K4
SCHEMBL2521770 0.78 PIM1 (0.36) PIM1PIM2PIM3

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-2556066-B1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
EP-2556066-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-02-13 EP disclosed
WO-2011124580-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 WO disclosed