SCHEMBL5341694

SCHEMBL5341694

CC(C)COC(=O)N1CCC(Nc2nccc(N(C)c3cc(-c4ccccc4)cc(=O)n3C)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.43
▸ NOS2 P35228 5/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CDK4 P11802 3/20 0.40
▸ CCND1 P24385 3/20 0.40
▸ NOS1 P29475 4/20 0.39
▸ NOS3 P29474 2/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ PPARG P37231 5/20 0.38
▸ PPARA Q07869 5/20 0.38
▸ MAPK8 P45983 3/20 0.38
▸ JUN P05412 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37

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
SCHEMBL5341690 0.88 USP30 (0.48) MAPK14USP30
SCHEMBL5914261 0.77 USP30 (0.33) MAPK14CDK2MAPK8JUNMAPK9
SCHEMBL5914262 0.74 MAPK14 (0.37) MAPK14
SCHEMBL5914088 0.73 USP30 (0.46) MAPK14USP30
SCHEMBL5914172 0.72 MAPK14 (0.35) MAPK14USP30
SCHEMBL5267139 0.71 ACACB (0.41) USP30
SCHEMBL5914255 0.71 SCD (0.36) MAPK14
SCHEMBL5317262 0.70 MAPK8 (0.39) MAPK14NOS2CDK2CDK1NOS1
SCHEMBL5264929 0.70 IRAK1 (0.41) MAPK14CDK2CDK1CDK4CCND1
SCHEMBL5913964 0.70 MAPK8 (0.44) MAPK14CDK2CDK1CDK4CCND1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 — — EP claimed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 — — WO claimed
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