SCHEMBL3421992

SCHEMBL3421992

Cc1ccc(-n2nc(C(F)(F)C(F)(F)F)cc2NC(=O)Nc2ccc(N3CCNCC3)nc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.49
MAPK13 O15264 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
DDR2 Q16832 1/20 0.47
PTK2B Q14289 4/20 0.47
PTK2 Q05397 2/20 0.46
BRAF P15056 6/20 0.45
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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) MAPK14MAPK13MAPK12MAPK11DDR2
Hydrochloric Acid SCHEMBL3170506 0.91 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
Hydrochloric Acid SCHEMBL3164661 0.88 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11DDR2
Hydrochloric Acid SCHEMBL3388074 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3390962 0.84 KCNJ6 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3390975 0.82 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3164535 0.82 KCNJ6 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3392535 0.82 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL13528630 0.79 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3170749 0.77 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2

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