SCHEMBL4728099

SCHEMBL4728099

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC2CCCCN2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.41
BRAF P15056 14/20 0.41
MAPK14 Q16539 4/20 0.41
EPHA3 P29320 1/20 0.41
FRK P42685 1/20 0.41
HSPB1 P04792 1/20 0.41
LYN P07948 1/20 0.41
IKBKB O14920 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL4729070 0.90 IKBKB (0.43) RAF1BRAFMAPK14EPHA3FRK
SCHEMBL4784220 0.89 MAPK14 (0.42) RAF1BRAFMAPK14EPHA3FRK
SCHEMBL4728338 0.85 RAF1 (0.39) RAF1BRAFMAPK14EPHA3FRK
SCHEMBL4725920 0.85 EGLN1 (0.48) MAPK14EGLN1
SCHEMBL4730006 0.84 RAF1 (0.43) RAF1BRAF
SCHEMBL4727468 0.84 MAPK14 (0.47) RAF1BRAFMAPK14EPHA3FRK
SCHEMBL4728096 0.84 RAF1 (0.42) RAF1BRAF
SCHEMBL4727842 0.84 RAF1 (0.45) RAF1BRAF
SCHEMBL4727147 0.83 MAPK14 (0.48) RAF1BRAFMAPK14EGLN1
SCHEMBL4726798 0.83 RAF1 (0.42) RAF1BRAF

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