SCHEMBL9942550

SCHEMBL9942550

Cc1ccc(S(=O)(=O)N2CC(c3cncc(O[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)c3cc(-c4c(F)cccc4F)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.37
▸ GPR119 Q8TDV5 6/20 0.35
▸ PRMT5 O14744 2/20 0.35
▸ BCHE P06276 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL9901268 0.82 TYK2 (0.42) CHEK2GPR119PRMT5BCHEHTR6
SCHEMBL9901269 0.82 TYK2 (0.42) CHEK2GPR119PRMT5BCHEHTR6
SCHEMBL9942533 0.79 PIM1 (0.38) GPR119BCHEHTR6PIM1PIM2
SCHEMBL9904399 0.74 TYK2 (0.62) CHEK2PIK3CDTYK2PIM1PIM3
SCHEMBL9904397 0.74 TYK2 (0.62) CHEK2PIK3CDTYK2PIM1PIM3
SCHEMBL9904423 0.71 TYK2 (0.58) CHEK2PIK3CDTYK2PIM1PIM3
SCHEMBL9905828 0.71 TYK2 (0.58) CHEK2PIK3CDTYK2PIM1PIM3
SCHEMBL9904379 0.67 PIM1 (0.39) GPR119BCHEHTR6PIM1PIM2
SCHEMBL15446264 0.67 PIM1 (0.39) GPR119BCHEHTR6PIM1PIM2
SCHEMBL9942514 0.67 PIM1 (0.39) GPR119BCHEHTR6PIM1PIM2

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-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 — — WO disclosed
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