SCHEMBL12697055

SCHEMBL12697055

C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(O)cc(C4CCS(=O)(=O)CC4)cc3F)n2)C1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 20/20 0.73
▸ PIM3 Q86V86 20/20 0.73
▸ PIM2 Q9P1W9 20/20 0.73
▸ GSK3B P49841 1/20 0.68
▸ PRKCQ Q04759 1/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ PKN1 Q16512 1/20 0.68

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
SCHEMBL12077606 0.96 PIM1 (0.78) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL12077609 0.90 PIM1 (0.78) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL15588858 0.87 PIM2 (0.74) PIM1PIM3PIM2
SCHEMBL12077755 0.87 PIM2 (0.80) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL12077751 0.87 PIM2 (0.80) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL3203765 0.85 PIM1 (1.00) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL3203752 0.85 PIM1 (1.00) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL12077297 0.85 PIM2 (0.90) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL12077299 0.85 PIM2 (0.90) PIM1PIM3PIM2GSK3BPRKCQ
SCHEMBL12077947 0.85 PIM2 (0.81) PIM1PIM3PIM2GSK3BPRKCQ

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-2012120428-A1 NOVEL KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 — — WO disclosed
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