SCHEMBL4551684

SCHEMBL4551684

Cc1oc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(Nc2ccnc(N3CCOCC3)n2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.59
MAPT P10636 1/20 0.46
MAPK8 P45983 2/20 0.41
CDC7 O00311 1/20 0.41
ACHE P22303 3/20 0.40
AURKA O14965 1/20 0.39
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
BRAF P15056 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4413461 0.86 MAPK14 (0.65) MAPK14MAPTBRAF
SCHEMBL1599366 0.85 MAPK14 (0.48) MAPK14MAPK8CDC7BRAF
SCHEMBL5805883 0.83 MAPK14 (0.51) MAPK14PKM
SCHEMBL1599290 0.80 MAPK14 (0.59) MAPK14MAPK8BRAF
SCHEMBL1600460 0.80 MAPK14 (0.47) MAPK14MAPK8CDC7ACHEAURKA
SCHEMBL1599955 0.80 MAPK14 (0.62) MAPK14BRAF
SCHEMBL4410744 0.79 MAPK14 (0.55) MAPK14MAPTALDH1A1PKM
SCHEMBL1598985 0.78 MAPK14 (0.61) MAPK14MAPK8BRAF
SCHEMBL1600014 0.78 MAPK14 (0.64) MAPK14
SCHEMBL1599065 0.78 MAPK14 (0.61) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO claimed
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed