SCHEMBL2436643

SCHEMBL2436643

Nc1nccc(Oc2ccc3c(c2)OCCN3C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.61
CDK2 P24941 2/20 0.61
CDK1 P06493 1/20 0.61
KDR P35968 11/20 0.48
FGFR1 P11362 2/20 0.44
ABL1 P00519 5/20 0.44
BCR P11274 3/20 0.44
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
LCK P06239 4/20 0.43
MET P08581 4/20 0.43
TEK Q02763 4/20 0.43
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
CCNC P24863 1/20 0.43
SRC P12931 5/20 0.43
MAP3K7 O43318 2/20 0.42
MAP4K2 Q12851 2/20 0.42
MAPK14 Q16539 2/20 0.42
MAP3K20 Q9NYL2 2/20 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
SCHEMBL2436659 0.93 CDK2 (0.72) CDK8CDK2CDK1KDRFGFR1
SCHEMBL12972324 0.88 CDK8 (0.62) CDK8CDK2CDK1KDRFGFR1
SCHEMBL2435014 0.86 KDR (0.52) CDK8CDK2CDK1KDRLCK
SCHEMBL2433982 0.81 KDR (0.58) KDRLCKMETTEKFLT1
SCHEMBL12972326 0.80 CDK8 (0.74) CDK8CDK2CDK1KDRFGFR1
SCHEMBL12972266 0.80 CDK8 (0.73) CDK8CDK2CDK1KDRFGFR1
SCHEMBL10261435 0.79 KDR (0.67) KDRLCKMETTEK
SCHEMBL2434370 0.79 KDR (0.59) CDK8CDK2CDK1KDRLCK
SCHEMBL2435232 0.77 KDR (0.54) KDRLCKMETTEK
SCHEMBL2434058 0.77 KDR (0.53) KDRLCKMETTEK

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
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed