SCHEMBL2437280

SCHEMBL2437280

CC(C)N1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(N)ncn5)ccc34)cc2C(F)(F)F)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.67
FLT1 P17948 6/20 0.67
FLT4 P35916 6/20 0.67
HCK P08631 2/20 0.56
NR2C2 P49116 1/20 0.56
KIT P10721 4/20 0.51
RET P07949 3/20 0.51
PDGFRB P09619 3/20 0.51
ABL1 P00519 5/20 0.50
SRC P12931 4/20 0.50
CDK2 P24941 2/20 0.50
CDK8 P49336 2/20 0.50
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
STK25 O00506 1/20 0.50
CIT O14578 1/20 0.50
MAP2K7 O14733 1/20 0.50
IKBKB O14920 1/20 0.50
AURKA O14965 1/20 0.50
GAK O14976 1/20 0.50

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
SCHEMBL2436227 0.92 KDR (0.70) KDRFLT1FLT4HCKNR2C2
SCHEMBL2433219 0.91 KDR (0.54) KDRFLT1FLT4HCKNR2C2
SCHEMBL2434611 0.90 KDR (0.53) KDRFLT1FLT4HCKNR2C2
SCHEMBL2439239 0.90 KDR (0.70) KDRFLT1FLT4HCKNR2C2
SCHEMBL4936999 0.85 SRC (0.68) KDRFLT1FLT4HCKNR2C2
SCHEMBL2465925 0.84 KDR (0.65) KDRFLT1FLT4HCKKIT
SCHEMBL2434212 0.84 SRC (0.59) KDRFLT1FLT4HCKNR2C2
SCHEMBL30151207 0.83 KDR (0.57) KDRFLT1FLT4HCKNR2C2
SCHEMBL2434456 0.83 KDR (0.57) KDRFLT1FLT4HCKNR2C2
SCHEMBL2465036 0.82 KDR (0.56) KDRFLT1FLT4HCKKIT

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