SCHEMBL3390975

SCHEMBL3390975

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCNCC3)nc2C)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.52
TNF P01375 1/20 0.52
BRAF P15056 4/20 0.51
MAPK13 O15264 5/20 0.47
MAPK12 P53778 5/20 0.47
MAPK11 Q15759 5/20 0.47
DDR2 Q16832 2/20 0.47
PTK2B Q14289 4/20 0.46
PTK2 Q05397 2/20 0.45
RAF1 P04049 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL3164715 0.91 MAPK14 (0.58) MAPK14BRAFMAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL3170506 0.90 MAPK14 (0.57) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL3392491 0.84 KCNJ6 (0.48) MAPK14TNFBRAFMAPK13MAPK12
SCHEMBL3390169 0.83 MAPK14 (0.49) MAPK14TNFBRAFMAPK13MAPK12
SCHEMBL27720483 0.83 MAPK14 (0.46) MAPK14TNFBRAFMAPK13MAPK12
SCHEMBL27720462 0.83 MAPK14 (0.51) MAPK14TNFBRAFMAPK13MAPK12
SCHEMBL3421992 0.82 MAPK14 (0.49) MAPK14BRAFMAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL3388074 0.82 MAPK14 (0.49) MAPK14TNFBRAFMAPK13MAPK12
Hydrochloric Acid SCHEMBL3164661 0.82 MAPK14 (0.51) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL3415918 0.82 BRAF (0.47) MAPK14TNFBRAFMAPK13MAPK12

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