SCHEMBL12687525

SCHEMBL12687525

C[C@@H]1[C@H](N)C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cc(C4(O)CCOCC4)cc3F)sc2N)C[C@@H]1C

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 20/20 0.62
▸ PIM3 Q86V86 20/20 0.62
▸ PIM2 Q9P1W9 20/20 0.62

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
SCHEMBL15592871 0.94 PIM1 (0.62) PIM1PIM3PIM2
SCHEMBL15592961 0.90 PIM2 (0.63) PIM1PIM3PIM2
SCHEMBL12080175 0.88 PIM2 (0.56) PIM1PIM3PIM2
SCHEMBL15592873 0.88 PIM1 (0.64) PIM1PIM3PIM2
SCHEMBL15592955 0.87 PIM1 (0.62) PIM1PIM3PIM2
SCHEMBL15592867 0.83 PIM1 (0.64) PIM1PIM3PIM2
SCHEMBL15592874 0.83 PIM1 (0.65) PIM1PIM3PIM2
SCHEMBL15592954 0.83 PIM1 (0.63) PIM1PIM3PIM2
SCHEMBL12079637 0.82 PIM1 (0.55) PIM1PIM3PIM2
SCHEMBL15592960 0.82 PIM1 (0.64) 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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