SCHEMBL10278517

SCHEMBL10278517

C[C@@H]1[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(-c3nccs3)ccc2N)O[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 19/20 0.46
▸ PIM3 Q86V86 19/20 0.46
▸ PIM2 Q9P1W9 19/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL1911163 0.94 PIM1 (0.48) PIM1PIM3PIM2GSK3BCYP3A4
SCHEMBL1911137 0.87 PIM1 (0.45) PIM1PIM3PIM2GSK3B
SCHEMBL14892138 0.86 PIM2 (0.54) PIM1PIM3PIM2GSK3BCYP3A4
SCHEMBL14892045 0.85 PIM1 (0.44) PIM1PIM3PIM2GSK3BCYP3A4
SCHEMBL1911287 0.85 PIM2 (0.53) PIM1PIM3PIM2GSK3B
SCHEMBL14891536 0.83 PIM1 (0.56) PIM1PIM3PIM2GSK3BCYP3A4
SCHEMBL1911289 0.82 PIM2 (0.47) PIM1PIM3PIM2GSK3BCYP3A4
SCHEMBL15947832 0.81 PIM2 (0.63) PIM1PIM3PIM2GSK3BCYP3A4
SCHEMBL12079413 0.80 PIM2 (0.71) PIM1PIM3PIM2GSK3BCYP3A4
SCHEMBL10278603 0.79 CYP3A4 (0.49) PIM1PIM3PIM2GSK3BCYP3A4

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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