SCHEMBL3423893

SCHEMBL3423893

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC3CCNCC3)nc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.62
PTK2 Q05397 12/20 0.56
MAPK13 O15264 4/20 0.56
MAPK12 P53778 2/20 0.56
MAPK11 Q15759 2/20 0.56
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C8 P10632 1/20 0.55
PTK2B Q14289 1/20 0.53
MAPK9 P45984 1/20 0.51

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
SCHEMBL3174306 0.88 MAPK14 (0.59) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3388910 0.88 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3419400 0.86 MAPK14 (0.56) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3171155 0.85 MAPK14 (0.54) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3170561 0.84 MAPK14 (0.64) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3392453 0.83 MAPK14 (0.53) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3390223 0.82 MAPK14 (0.52) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3392836 0.82 MAPK13 (0.53) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3391089 0.82 MAPK14 (0.52) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL5470525 0.81 MAPK14 (0.73) MAPK14PTK2MAPK13MAPK12MAPK11

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-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed