SCHEMBL20125547

SCHEMBL20125547

Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)nc(SCC=O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.56
KIT P10721 1/20 0.56
PDGFRA P16234 1/20 0.56
CDK11B P21127 1/20 0.56
FLT3 P36888 1/20 0.56
CDKL2 Q92772 1/20 0.56
KDR P35968 7/20 0.39
BRAF P15056 4/20 0.39
MAPK14 Q16539 4/20 0.39
TNNI3K Q59H18 4/20 0.39
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
RAF1 P04049 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
CDK8 P49336 2/20 0.35
CDK7 P50613 1/20 0.35
CDK6 Q00534 1/20 0.35
TP53 P04637 2/20 0.34

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
SCHEMBL12336268 0.91 PDGFRB (0.60) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12348785 0.90 PDGFRB (0.60) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12336403 0.88 PDGFRB (0.55) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12336416 0.88 PDGFRB (0.57) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL625598 0.87 PDGFRB (0.73) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12348796 0.87 PDGFRB (0.61) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12336400 0.86 PDGFRB (0.55) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL14949514 0.86 PDGFRB (0.52) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12336250 0.85 PDGFRB (0.61) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12336269 0.85 PDGFRB (0.61) PDGFRBKITPDGFRACDK11BFLT3

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
EP-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 EP disclosed