SCHEMBL325021

SCHEMBL325021

CC[C@]1(O)[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(-c3ccncc3)c(F)cc2N)O[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 19/20 0.53
▸ PIM1 P11309 18/20 0.53
▸ PIM2 Q9P1W9 18/20 0.53
▸ GSK3B P49841 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 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
SCHEMBL14906087 0.91 PIM3 (0.63) PIM3PIM1PIM2CYP3A4CYP2D6
SCHEMBL319243 0.84 PIM2 (0.60) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL319404 0.83 PIM3 (0.55) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL14892314 0.83 PIM1 (0.77) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL14906095 0.82 CYP3A4 (0.66) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL14906141 0.81 CYP3A4 (0.51) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL14892623 0.81 PIM3 (0.65) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL319247 0.81 PIM2 (0.56) PIM3PIM1PIM2GSK3BCYP3A4
SCHEMBL319507 0.79 PIM2 (0.46) PIM3PIM1PIM2GSK3B
SCHEMBL14891536 0.79 PIM1 (0.56) PIM3PIM1PIM2GSK3BCYP3A4

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
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