SCHEMBL3391089

SCHEMBL3391089

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC3CCN(C(=O)c4ccc(F)cc4F)CC3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.52
PTK2 Q05397 11/20 0.49
MAPK13 O15264 5/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C8 P10632 1/20 0.47
PTK2B Q14289 1/20 0.47
MAPK9 P45984 1/20 0.47
FLT3 P36888 1/20 0.45

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
SCHEMBL3392836 0.93 MAPK13 (0.53) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3390254 0.89 MAPK14 (0.49) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3392453 0.89 MAPK14 (0.53) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3392618 0.88 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL3390159 0.86 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL3390223 0.84 MAPK14 (0.52) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3423893 0.82 MAPK14 (0.62) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL2951258 0.82 MAPK14 (0.54) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL13528639 0.81 MAPK14 (0.51) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL13528641 0.79 MAPK14 (0.52) 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