SCHEMBL1911287

SCHEMBL1911287

CC1[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(-c3ccncc3F)ccc2N)O[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 20/20 0.53
PIM3 Q86V86 19/20 0.53
PIM1 P11309 18/20 0.53
GSK3B P49841 1/20 0.50

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
SCHEMBL10278517 0.85 PIM1 (0.46) PIM2PIM3PIM1GSK3B
SCHEMBL319243 0.83 PIM2 (0.60) PIM2PIM3PIM1GSK3B
SCHEMBL1911289 0.81 PIM2 (0.47) PIM2PIM3PIM1GSK3B
SCHEMBL1911197 0.79 PIM1 (0.64) PIM2PIM3PIM1
SCHEMBL1911163 0.78 PIM1 (0.48) PIM2PIM3PIM1GSK3B
SCHEMBL10278603 0.78 CYP3A4 (0.49) PIM2PIM3PIM1GSK3B
SCHEMBL1911286 0.78 PIM1 (0.44) PIM2PIM3PIM1GSK3B
SCHEMBL1911288 0.77 PIM3 (0.45) PIM2PIM3PIM1GSK3B
SCHEMBL1911195 0.74 PIM1 (0.64) PIM2PIM3PIM1GSK3B
SCHEMBL10278843 0.73 PIM1 (0.76) PIM2PIM3PIM1GSK3B

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
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed