SCHEMBL16199870

SCHEMBL16199870

COC1=NC(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)NC(c2c[nH]c3ccc(-c4c(F)cccc4F)cc23)=C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.42
▸ PARP1 P09874 2/20 0.39
▸ PIK3CD O00329 4/20 0.39
▸ HDAC4 P56524 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ CHEK2 O96017 2/20 0.36
▸ PIM1 P11309 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ BTK Q06187 1/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ TYK2 P29597 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
SCHEMBL9904556 0.80 PIK3CD (0.43) USP30PARP1PIK3CDHDAC4HDAC6
SCHEMBL9904557 0.80 PIK3CD (0.43) USP30PARP1PIK3CDHDAC4HDAC6
SCHEMBL9904659 0.78 PIM1 (0.53) USP30PARP1PIK3CDHDAC4HDAC6
SCHEMBL9904658 0.78 PIM1 (0.53) USP30PARP1PIK3CDHDAC4HDAC6
SCHEMBL9904399 0.73 TYK2 (0.62) PIK3CDCHEK2PIM1PIM2PIK3CA
SCHEMBL9904397 0.73 TYK2 (0.62) PIK3CDCHEK2PIM1PIM2PIK3CA
SCHEMBL9905828 0.70 TYK2 (0.58) PIK3CDCHEK2PIM1PIM2TYK2
SCHEMBL9904423 0.70 TYK2 (0.58) PIK3CDCHEK2PIM1PIM2TYK2
SCHEMBL9904239 0.69 PIM1 (0.43) USP30PARP1HDAC4HDAC6PIM1
SCHEMBL29414084 0.66 CDK2 (0.47) USP30PARP1JAK1BTK

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
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 — — EP disclosed
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