SCHEMBL1911162

SCHEMBL1911162

C[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccnc(-c3c(F)cccc3F)n2)C[C@@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 19/20 0.64
▸ PIM3 Q86V86 19/20 0.64
▸ PIM2 Q9P1W9 19/20 0.64
▸ GSK3B P49841 1/20 0.48
▸ PRKCQ Q04759 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ PKN1 Q16512 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL14893001 0.90 PIM1 (0.59) PIM1PIM3PIM2
SCHEMBL1910869 0.89 PIM1 (0.58) PIM1PIM3PIM2
SCHEMBL14905594 0.88 PIM1 (0.59) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL10278715 0.87 PIM1 (0.73) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL14891344 0.87 PIM1 (0.73) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL14892705 0.87 PIM1 (0.73) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL10278806 0.87 PIM1 (0.73) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL1910933 0.85 PIM1 (0.67) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL1911206 0.84 PIM2 (0.68) PIM1PIM3PIM2
SCHEMBL1911208 0.84 PIM2 (0.68) PIM1PIM3PIM2

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
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