SCHEMBL12687522

SCHEMBL12687522

CC[C@]1(O)[C@H](C)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3P)n2)C[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 20/20 0.66
▸ PIM1 P11309 19/20 0.66
▸ PIM3 Q86V86 19/20 0.66
▸ GSK3B P49841 1/20 0.63
▸ PRKCQ Q04759 1/20 0.63
▸ KCNH2 Q12809 1/20 0.63
▸ PKN1 Q16512 1/20 0.63

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
SCHEMBL12080164 0.95 PIM1 (0.72) PIM2PIM1PIM3GSK3BPRKCQ
SCHEMBL12079144 0.95 PIM1 (0.72) PIM2PIM1PIM3GSK3BPRKCQ
SCHEMBL12687530 0.93 PIM1 (0.70) PIM2PIM1PIM3GSK3BPRKCQ
SCHEMBL12080846 0.89 PIM1 (0.72) PIM2PIM1PIM3GSK3BPRKCQ
SCHEMBL12092796 0.89 PIM1 (0.72) PIM2PIM1PIM3GSK3BPRKCQ
SCHEMBL12079398 0.89 PIM1 (0.72) PIM2PIM1PIM3GSK3BPRKCQ
SCHEMBL12080677 0.89 PIM1 (0.72) PIM2PIM1PIM3GSK3BPRKCQ
SCHEMBL12081162 0.89 PIM1 (0.72) PIM2PIM1PIM3GSK3BPRKCQ
SCHEMBL12079100 0.88 PIM1 (0.76) PIM2PIM1PIM3GSK3BPRKCQ
SCHEMBL12080093 0.88 PIM1 (0.76) PIM2PIM1PIM3GSK3BPRKCQ

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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