SCHEMBL4783679

SCHEMBL4783679

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)N(C)C)nn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.48
RAF1 P04049 13/20 0.44
BRAF P15056 12/20 0.44
PLAU P00749 1/20 0.44
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL4781167 0.91 MAPK14 (0.47) MAPK14RAF1BRAFPLAUMAPK13
SCHEMBL4783670 0.89 MAPK14 (0.39) MAPK14RAF1BRAFPLAU
SCHEMBL4728307 0.86 RAF1 (0.45) MAPK14RAF1BRAFPLAUMAPK13
SCHEMBL4778221 0.86 RAF1 (0.43) MAPK14RAF1BRAFPLAUMAPK13
SCHEMBL4781361 0.86 ACKR3 (0.45) MAPK14RAF1BRAFPLAU
SCHEMBL4780195 0.85 RAF1 (0.49) MAPK14RAF1BRAFPLAU
SCHEMBL4780448 0.84 RAF1 (0.43) MAPK14RAF1BRAFPLAU
SCHEMBL4782138 0.84 RAF1 (0.42) MAPK14RAF1BRAFPLAUMAPK13
SCHEMBL4779979 0.84 MAPK14 (0.48) MAPK14RAF1BRAFPLAUMAPK13
SCHEMBL4783075 0.83 PLAU (0.42) MAPK14RAF1BRAFPLAUMAPK13

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