SCHEMBL12687517

SCHEMBL12687517

C[C@@H]1[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)C[C@@H]1C

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 20/20 0.78
▸ PIM3 Q86V86 20/20 0.78
▸ PIM2 Q9P1W9 20/20 0.78

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
SCHEMBL2694159 0.88 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL2694153 0.88 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15589034 0.86 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15588837 0.86 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL16754173 0.85 PIM1 (0.75) PIM1PIM3PIM2
SCHEMBL15589083 0.85 PIM3 (1.00) PIM1PIM3PIM2
SCHEMBL12079359 0.85 PIM2 (0.75) PIM1PIM3PIM2
SCHEMBL2692505 0.84 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL4123974 0.84 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL16579559 0.84 PIM1 (0.88) 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-2012120415-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 — — WO disclosed
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