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SCHEMBL6645674

SCHEMBL6645674

N[C@@H](C(=O)Nc1cnc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.51
▸ MAPK13 O15264 10/20 0.51
▸ MAPK12 P53778 10/20 0.51
▸ MAPK11 Q15759 10/20 0.51
▸ ROCK2 O75116 3/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ CDK7 P50613 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL6639556 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11ROCK2
SCHEMBL6639354 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11ROCK2
SCHEMBL6175326 0.77 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11ROCK2
SCHEMBL8324311 0.75 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4535891 0.73 AAK1 (0.54) MAPK14ROCK2ROCK1AAK1
SCHEMBL27744448 0.73 AAK1 (0.54) MAPK14ROCK2ROCK1AAK1
SCHEMBL4531698 0.72 ROCK2 (0.62) MAPK13MAPK12ROCK2ROCK1AAK1
SCHEMBL4527170 0.72 ROCK2 (0.62) MAPK13MAPK12ROCK2ROCK1AAK1
SCHEMBL27744413 0.72 ROCK2 (0.62) MAPK13MAPK12ROCK2ROCK1AAK1
SCHEMBL6638761 0.72 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11ROCK2

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-0948495-B1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC (US) 2004-04-14 — — EP disclosed