SCHEMBL3390962

SCHEMBL3390962

Cc1ccc(-n2nc(C3(C(F)(F)F)CC3)cc2NC(=O)Nc2ccc(N3CCNCC3)nc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 10/20 0.53
KCNJ5 P48544 10/20 0.53
KCNJ3 P48549 10/20 0.53
BRAF P15056 2/20 0.45
PTK2B Q14289 3/20 0.41
MAPK14 Q16539 4/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
DDR2 Q16832 1/20 0.40

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
SCHEMBL3392491 0.91 KCNJ6 (0.48) KCNJ6KCNJ5KCNJ3BRAFPTK2B
SCHEMBL3164535 0.88 KCNJ6 (0.56) KCNJ6KCNJ5KCNJ3PTK2BMAPK14
SCHEMBL3421992 0.84 MAPK14 (0.49) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3164715 0.84 MAPK14 (0.58) BRAFPTK2BMAPK14MAPK13MAPK12
Hydrochloric Acid SCHEMBL3170506 0.83 MAPK14 (0.57) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3393257 0.83 KCNJ6 (0.49) KCNJ6KCNJ5KCNJ3BRAFPTK2B
SCHEMBL3388799 0.82 KCNJ6 (0.49) KCNJ6KCNJ5KCNJ3BRAFPTK2B
Hydrochloric Acid SCHEMBL3388074 0.81 MAPK14 (0.49) BRAFPTK2BMAPK14MAPK13MAPK12
Hydrochloric Acid SCHEMBL3164661 0.81 MAPK14 (0.51) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3394326 0.77 KCNJ6 (0.47) KCNJ6KCNJ5KCNJ3BRAFPTK2B

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