SCHEMBL3392491

SCHEMBL3392491

Cc1ccc(-n2nc(C3(C(F)(F)F)CC3)cc2NC(=O)Nc2ccc(N3CCNCC3)nc2C)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 11/20 0.48
KCNJ5 P48544 11/20 0.48
KCNJ3 P48549 11/20 0.48
BRAF P15056 4/20 0.39
MAPK14 Q16539 2/20 0.38
TNF P01375 1/20 0.38
PTK2B Q14289 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
CDK11A Q9UQ88 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
SCHEMBL3390962 0.91 KCNJ6 (0.53) KCNJ6KCNJ5KCNJ3BRAFMAPK14
SCHEMBL3394326 0.86 KCNJ6 (0.47) KCNJ6KCNJ5KCNJ3BRAFMAPK14
SCHEMBL3391094 0.85 KCNJ6 (0.47) KCNJ6KCNJ5KCNJ3BRAFMAPK14
SCHEMBL3392551 0.85 KCNJ6 (0.42) KCNJ6KCNJ5KCNJ3BRAFMAPK14
SCHEMBL3389950 0.85 KCNJ6 (0.52) KCNJ6KCNJ5KCNJ3BRAFMAPK14
SCHEMBL3390975 0.84 MAPK14 (0.52) BRAFMAPK14TNFPTK2BMAPK13
SCHEMBL3390667 0.83 KCNJ6 (0.45) KCNJ6KCNJ5KCNJ3BRAFMAPK14
SCHEMBL3392130 0.83 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3BRAFMAPK14
SCHEMBL3392426 0.83 KCNJ6 (0.50) KCNJ6KCNJ5KCNJ3BRAFMAPK14
SCHEMBL3164535 0.79 KCNJ6 (0.56) KCNJ6KCNJ5KCNJ3MAPK14PTK2B

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