SCHEMBL4783670

SCHEMBL4783670

Cc1ncc(Nc2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)N(C)C)nn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.39
PLAU P00749 1/20 0.39
BRAF P15056 10/20 0.37
RAF1 P04049 6/20 0.37
ACLY P53396 1/20 0.36
GPR183 P32249 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PAK1 Q13153 3/20 0.35
WDR5 P61964 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL4781149 0.91 PLAU (0.40) MAPK14PLAUBRAFRAF1ACLY
SCHEMBL4783679 0.89 MAPK14 (0.48) MAPK14PLAUBRAFRAF1
SCHEMBL4782308 0.87 PLAU (0.41) MAPK14PLAUBRAFRAF1
SCHEMBL4781359 0.84 ACKR3 (0.47) PLAUBRAFRAF1WDR5
SCHEMBL4778219 0.84 NAPEPLD (0.40) MAPK14PLAUBRAFRAF1PIK3CB
SCHEMBL4782767 0.83 CNR2 (0.42) MAPK14PLAUBRAFRAF1PIK3CB
SCHEMBL4782171 0.83 PLAU (0.38) MAPK14PLAUBRAFRAF1WDR5
SCHEMBL4782131 0.83 PLAU (0.38) MAPK14PLAUBRAFRAF1GPR183
SCHEMBL4780442 0.83 PLAU (0.38) PLAUBRAFRAF1PIK3CD
SCHEMBL4779984 0.81 ACKR3 (0.41) PLAUBRAF

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