SCHEMBL20431327

SCHEMBL20431327

FC(F)(F)c1cccc(NCCNc2nnc(Cc3ccncc3)c3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.64
▸ FLT1 P17948 14/20 0.64
▸ PDGFRB P09619 12/20 0.57
▸ KIT P10721 11/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ EGFR P00533 2/20 0.50
▸ CSF1R P07333 2/20 0.50
▸ FLT4 P35916 2/20 0.50
▸ CIT O14578 1/20 0.50
▸ HLA-A P04439 1/20 0.50
▸ RET P07949 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ FRK P42685 1/20 0.50
▸ CDK8 P49336 1/20 0.50
▸ DDR1 Q08345 1/20 0.50
▸ STK3 Q13188 1/20 0.50
▸ PTK6 Q13882 1/20 0.50
▸ MAP3K19 Q56UN5 1/20 0.50
▸ CDK19 Q9BWU1 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
SCHEMBL20431372 0.85 KDR (0.73) KDRFLT1PDGFRBKITEGFR
SCHEMBL906268 0.79 KDR (0.80) KDRFLT1PDGFRBKITEGFR
SCHEMBL4818044 0.77 KDR (0.79) KDRFLT1PDGFRBKITEGFR
SCHEMBL20431365 0.76 FLT1 (0.56) KDRFLT1PDGFRBKITSMN1; SMN2
SCHEMBL20431246 0.75 FLT1 (0.57) KDRFLT1PDGFRBKITEGFR
SCHEMBL24996489 0.73 FLT1 (0.66) KDRFLT1PDGFRBKITEGFR
SCHEMBL905634 0.73 KDR (1.00) KDRFLT1PDGFRBKITEGFR
Trifluoromethylbenzene SCHEMBL27625245 0.73 KDR (0.54) KDRFLT1PDGFRBKITSMN1; SMN2
SCHEMBL905657 0.72 FLT1 (0.68) KDRFLT1PDGFRBKITEGFR
Hydrochloric Acid SCHEMBL6610350 0.72 KDR (0.97) KDRFLT1PDGFRBKITEGFR

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-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 — — EP disclosed
Send feedback