SCHEMBL7917496

SCHEMBL7917496

CN1C[C@@H](Nc2nc(N3CCC(C)(c4nc5ccccc5o4)CC3)nc3c2[S+]([O-])CC3)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ WHR1 P49842 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL12921332 0.92 IL1B (0.32) PIM1PIM2
SCHEMBL373980 0.90 PTGDR2 (0.31) —
SCHEMBL12209170 0.90 PTGDR2 (0.31) —
SCHEMBL186973 0.87 USP2 (0.37) MAPK1
SCHEMBL7712191 0.82 SYK (0.33) MAPK1PIM1PIM2WHR1
SCHEMBL12921328 0.81 ACHE (0.35) PIM1PIM2
SCHEMBL15976825 0.80 SLC18A3 (0.34) MAPK1PIM1PIM2
SCHEMBL12921243 0.80 PDE4D (0.33) MAPK1WHR1
SCHEMBL187611 0.80 GRM2 (0.35) MAPK1WHR1
SCHEMBL12921237 0.80 SRD5A1 (0.41) MAPK1PIM1PIM2

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-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO disclosed
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