SCHEMBL16587794

SCHEMBL16587794

CC(=O)O[C@H]1[C@H](C)CC(c2ccncc2N)C[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.39
PIM3 Q86V86 17/20 0.39
PIM2 Q9P1W9 17/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 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
SCHEMBL16587792 1.00 PIM1 (0.39) PIM1PIM3PIM2KDM4EALDH1A1
SCHEMBL3223805 0.84 PIM1 (0.35) PIM1PIM3PIM2
SCHEMBL3223798 0.84 PIM1 (0.35) PIM1PIM3PIM2
SCHEMBL4127523 0.84 PIM1 (0.35) PIM1PIM3PIM2
SCHEMBL16588145 0.84 PIM1 (0.35) PIM1PIM3PIM2
SCHEMBL15535854 0.84 PIM1 (0.35) PIM1PIM3PIM2
SCHEMBL2839933 0.84 PIM1 (0.35) PIM1PIM3PIM2
SCHEMBL13421846 0.84 PIM1 (0.35) PIM1PIM3PIM2
SCHEMBL16587821 0.82 PIM1 (0.42) PIM1PIM3PIM2KDM4EALDH1A1
SCHEMBL16587817 0.82 PIM1 (0.42) PIM1PIM3PIM2KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987457-B2 Ring-substituted N-pyridinyl amides as kinase inhibitors NOVARTIS AG (CH) 2015-03-24 US disclosed