SCHEMBL4551703

SCHEMBL4551703

CCCNC(=O)c1cc(-c2cc(Nc3cc(F)cc(N4CCOCC4)c3)ccc2C)no1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.48
RAF1 P04049 9/20 0.43
BRAF P15056 9/20 0.43
PLAU P00749 1/20 0.41
POLB P06746 1/20 0.41
GPR183 P32249 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
SCHEMBL5603194 0.91 RAF1 (0.43) MAPK14RAF1BRAFPLAUPOLB
SCHEMBL4552281 0.89 RAF1 (0.45) MAPK14RAF1BRAFPLAUGPR183
SCHEMBL4551704 0.89 MAPK14 (0.57) MAPK14RAF1BRAF
SCHEMBL4541474 0.89 RAF1 (0.42) MAPK14RAF1BRAFPLAU
SCHEMBL4541525 0.87 ACKR3 (0.44) MAPK14RAF1BRAFPLAUGPR183
SCHEMBL4551892 0.87 RAF1 (0.44) MAPK14RAF1BRAFPLAUGPR183
SCHEMBL5604081 0.86 RAF1 (0.42) MAPK14RAF1BRAFPLAUPOLB
SCHEMBL5603996 0.85 NAMPT (0.45) MAPK14RAF1BRAF
SCHEMBL5602744 0.85 RAB9A (0.43) MAPK14RAF1BRAF
SCHEMBL4551381 0.85 RAB9A (0.53) RAF1BRAFPLAUPOLBGPR183

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-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed