SCHEMBL1910891

SCHEMBL1910891

C=C=C[C@H]1OC(c2ccncc2NC(=O)c2nc(-c3c(C)cccc3F)c(F)cc2N)=C[C@@H](O)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 19/20 0.50
▸ PIM1 P11309 19/20 0.50
▸ PIM2 Q9P1W9 19/20 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
SCHEMBL14906088 0.88 PIM3 (0.54) PIM3PIM1PIM2
SCHEMBL1910942 0.84 PIM3 (0.58) PIM3PIM1PIM2
SCHEMBL14906187 0.83 PIM3 (0.55) PIM3PIM1PIM2
SCHEMBL1911133 0.82 PIM2 (0.54) PIM3PIM1PIM2
SCHEMBL10278514 0.81 PIM3 (0.54) PIM3PIM1PIM2
SCHEMBL14891716 0.78 CYP3A4 (0.50) PIM3PIM1PIM2
SCHEMBL1910893 0.75 PIM2 (0.54) PIM3PIM1PIM2
SCHEMBL1911184 0.74 PIM1 (0.57) PIM3PIM1PIM2
SCHEMBL1911129 0.71 PIM1 (0.48) PIM3PIM1PIM2
SCHEMBL1910897 0.71 CYP3A4 (0.50) PIM3PIM1PIM2

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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