SCHEMBL9942533

SCHEMBL9942533

Cc1ccc(S(=O)(=O)N2CC(c3nccc(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)c3cc(-c4c(F)cccc4F)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ USP30 Q70CQ3 4/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ KAT7 O95251 1/20 0.35
▸ KAT8 Q9H7Z6 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ RORC P51449 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ MMP13 P45452 1/20 0.34

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
SCHEMBL9904146 0.81 PIM1 (0.41) PIM1PIM2USP30BRD4BCHE
SCHEMBL9904144 0.81 PIM1 (0.41) PIM1PIM2USP30BRD4BCHE
SCHEMBL9942550 0.79 CHEK2 (0.37) PIM1PIM2BCHEHTR6GPR119
SCHEMBL9904659 0.73 PIM1 (0.53) PIM1PIM2USP30HDAC4HDAC6
SCHEMBL9904658 0.73 PIM1 (0.53) PIM1PIM2USP30HDAC4HDAC6
SCHEMBL9904525 0.72 PIK3CD (0.39) PIM1PIM2USP30BRD4BCHE
SCHEMBL9904528 0.72 PIK3CD (0.39) PIM1PIM2USP30BRD4BCHE
SCHEMBL15446264 0.70 PIM1 (0.39) PIM1PIM2USP30BRD4BCHE
SCHEMBL9904379 0.70 PIM1 (0.39) PIM1PIM2USP30BRD4BCHE
SCHEMBL9942514 0.70 PIM1 (0.39) PIM1PIM2USP30BRD4BCHE

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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