SCHEMBL2580153

SCHEMBL2580153

Cn1ncc(N)c1N1CCC[C@H](N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 15/20 0.38
PIM2 Q9P1W9 14/20 0.38
PIM3 Q86V86 10/20 0.38

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
SCHEMBL2580155 1.00 PIM1 (0.38) PIM1PIM2PIM3
SCHEMBL2578055 0.93 PIM1 (0.35) PIM1PIM2PIM3
SCHEMBL2578052 0.93 PIM1 (0.35) PIM1PIM2PIM3
SCHEMBL2582150 0.93 PIM1 (0.35) PIM1PIM2PIM3
SCHEMBL27890512 0.85 PIM1 (0.40) PIM1PIM2PIM3
SCHEMBL2564052 0.85 PIM2 (0.40) PIM1PIM2PIM3
SCHEMBL27906986 0.85 PIM1 (0.40) PIM1PIM2PIM3
SCHEMBL2520248 0.80 PIM1 (0.40) PIM1PIM2PIM3
SCHEMBL2519526 0.80 PIM1 (0.40) PIM1PIM2PIM3
SCHEMBL2580400 0.80 PIM1 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760857-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
WO-2013045461-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO 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