SCHEMBL14831765

SCHEMBL14831765

Cn1ncc(N)c1N1CCCC(NC(=O)C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 16/20 0.44
PIM2 Q9P1W9 14/20 0.44
PIM3 Q86V86 10/20 0.44

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
SCHEMBL14801554 1.00 PIM1 (0.44) PIM1PIM2PIM3
SCHEMBL2520959 0.86 PIM2 (0.42) PIM1PIM2PIM3
SCHEMBL14800613 0.84 HPGDS (0.42) PIM1PIM2PIM3
SCHEMBL14800616 0.84 HPGDS (0.42) PIM1PIM2PIM3
SCHEMBL2521182 0.83 MAP4K4 (0.48)
SCHEMBL14800313 0.82 PIM1 (0.41) PIM1PIM2PIM3
SCHEMBL14800952 0.82 PIM1 (0.41) PIM1PIM2PIM3
SCHEMBL14800312 0.82 PIM1 (0.41) PIM1PIM2PIM3
SCHEMBL15615354 0.82 PIM1 (0.41) PIM1PIM2PIM3
SCHEMBL14802965 0.82 PIM1 (0.41) 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 2 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