SCHEMBL319507

SCHEMBL319507

CC[C@]1(O)[C@H](O)C[C@H](c2ccncc2NC(=O)c2ccccn2)O[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 17/20 0.46
PIM1 P11309 15/20 0.46
PIM3 Q86V86 15/20 0.46
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GSK3B P49841 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
SCHEMBL319247 0.86 PIM2 (0.56) PIM2PIM1PIM3GSK3B
SCHEMBL14892813 0.82 PIM1 (0.64) PIM2PIM1PIM3GSK3B
SCHEMBL14892459 0.82 PIM1 (0.64) PIM2PIM1PIM3GSK3B
SCHEMBL14890869 0.82 PIM1 (0.64) PIM2PIM1PIM3GSK3B
SCHEMBL14891020 0.82 PIM1 (0.64) PIM2PIM1PIM3GSK3B
SCHEMBL14906141 0.81 CYP3A4 (0.51) PIM2PIM1PIM3GSK3B
SCHEMBL14906142 0.81 PIM2 (0.52) PIM2PIM1PIM3GSK3B
SCHEMBL14906150 0.80 PIM2 (0.38) PIM2PIM1PIM3MAPTGSK3B
SCHEMBL325021 0.79 PIM3 (0.53) PIM2PIM1PIM3GSK3B
SCHEMBL14892314 0.78 PIM1 (0.77) PIM2PIM1PIM3GSK3B

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-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed