SCHEMBL3389950

SCHEMBL3389950

Cc1ccc(-n2nc(C3(C(F)(F)F)CC3)cc2NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nc2C)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 10/20 0.52
KCNJ5 P48544 10/20 0.52
KCNJ3 P48549 10/20 0.52
GBA1 P04062 1/20 0.39
TNF P01375 1/20 0.37
MAPK14 Q16539 1/20 0.37
BRAF P15056 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL3392426 0.97 KCNJ6 (0.50) KCNJ6KCNJ5KCNJ3GBA1TNF
SCHEMBL3391094 0.93 KCNJ6 (0.47) KCNJ6KCNJ5KCNJ3GBA1TNF
SCHEMBL3390667 0.90 KCNJ6 (0.45) KCNJ6KCNJ5KCNJ3GBA1TNF
SCHEMBL3394326 0.88 KCNJ6 (0.47) KCNJ6KCNJ5KCNJ3TNFMAPK14
SCHEMBL3390169 0.86 MAPK14 (0.49) TNFMAPK14BRAF
SCHEMBL3392551 0.85 KCNJ6 (0.42) KCNJ6KCNJ5KCNJ3TNFMAPK14
SCHEMBL3392491 0.85 KCNJ6 (0.48) KCNJ6KCNJ5KCNJ3TNFMAPK14
SCHEMBL3392430 0.84 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3GBA1BRAF
SCHEMBL3391154 0.84 MAPK14 (0.47) TNFMAPK14BRAF
SCHEMBL3392130 0.83 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3TNFMAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed
CN-101296922-A Kinase inhibitors LILLY CO ELI (US) 2008-10-29 CN disclosed