SCHEMBL4782176

SCHEMBL4782176

Cc1ncc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.45
KDM1A O60341 1/20 0.35
MAPK14 Q16539 4/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 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
SCHEMBL4781668 0.82 MIF (0.39) MAPK14MAPK11
SCHEMBL2363210 0.80 BRAF (0.58) BRAF
SCHEMBL13436159 0.79 BRAF (0.50) BRAFMAPK14MAPTLMNA
SCHEMBL4907955 0.79 ESRRA (0.38) MAPTLMNA
SCHEMBL4782660 0.78 NR1I2 (0.42) BRAFMAPK14
SCHEMBL4784135 0.77 CYP1A2 (0.48)
SCHEMBL14292741 0.77 MIF (0.38)
SCHEMBL15869739 0.76 BRAF (0.47) BRAFMAPK14LMNA
SCHEMBL15869726 0.76 BRAF (0.58) BRAF
SCHEMBL4781910 0.75 GSK3A (0.33) BRAFMAPK14

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed