SCHEMBL15875932

SCHEMBL15875932

CCC(C)C(=O)C1(N2Cc3c[nH]c4nccc(c34)C2=O)CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ CDC42BPB Q9Y5S2 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30

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
SCHEMBL1706643 0.81 JAK2 (0.36) JAK2ROCK1CDC42BPBROCK2
SCHEMBL1705735 0.80 JAK2 (0.38) JAK2ROCK1CDC42BPBROCK2
SCHEMBL1706287 0.72 JAK1 (0.35) JAK2ROCK1CDC42BPBROCK2
SCHEMBL1706664 0.72 JAK2 (0.40) JAK2ROCK1CDC42BPBROCK2
SCHEMBL1950678 0.70 JAK1 (0.47) —
SCHEMBL1705696 0.69 NAMPT (0.38) JAK2ROCK1CDC42BPBROCK2
SCHEMBL1952365 0.69 NAMPT (0.39) JAK2ROCK1CDC42BPBROCK2
SCHEMBL16592905 0.68 JAK1 (0.38) —
SCHEMBL1952848 0.67 JAK1 (0.47) JAK2
SCHEMBL1706215 0.67 ROCK1 (0.37) JAK2ROCK1CDC42BPBROCK2

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
US-8785429-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED 2014-07-22 — — US claimed
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