SCHEMBL27730153

SCHEMBL27730153

Nc1nccc(N2CC(O)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.58
▸ HRH4 Q9H3N8 2/20 0.56
▸ ROCK1 Q13464 6/20 0.47
▸ CDK2 P24941 7/20 0.45
▸ CDK1 P06493 3/20 0.45
▸ CDC7 O00311 4/20 0.41
▸ SORD Q00796 1/20 0.40

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
SCHEMBL31227206 1.00 HRH3 (0.58) HRH3HRH4ROCK1CDK2CDK1
SCHEMBL31247170 0.87 HRH3 (0.65) HRH3HRH4ROCK1CDK2CDK1
SCHEMBL31227772 0.87 HRH3 (0.65) HRH3HRH4ROCK1CDK2CDK1
SCHEMBL31227534 0.87 HRH3 (0.65) HRH3HRH4ROCK1CDK2CDK1
SCHEMBL31246523 0.84 HRH3 (0.57) HRH3HRH4ROCK1CDK2CDK1
SCHEMBL31227779 0.84 HRH3 (0.57) HRH3HRH4ROCK1CDK2CDK1
SCHEMBL31227587 0.84 HRH3 (0.57) HRH3HRH4ROCK1CDK2CDK1
SCHEMBL13018663 0.84 HRH3 (0.70) HRH3HRH4ROCK1CDK2CDC7
SCHEMBL17626635 0.82 HRH3 (0.60) HRH3HRH4ROCK1CDK2CDC7
SCHEMBL17626690 0.82 HRH3 (0.63) HRH3HRH4ROCK1CDK2CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103524392-A Azetidines as mek inhibitors for the treatment of proliferative diseases EXELIXIS INC 2014-01-22 — — CN disclosed
CN-101365676-B Azetidines as mek inhibitors for the treatment of proliferative diseases EXELIXIS INC 2013-09-11 — — CN disclosed
CN-101605540-A Methods of using MEK inhibitors EXELIXIS INC (US) 2009-12-16 — — CN disclosed
CN-101365676-A Azetidines as mek inhibitors for the treatment of proliferative diseases EXELIXIS INC (US) 2009-02-11 — — CN disclosed
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