SCHEMBL2434059

SCHEMBL2434059

Nc1cc(Sc2ccc3c(C(=O)Nc4cccc(OC(F)(F)F)c4)cccc3c2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.57
FLT1 P17948 6/20 0.57
FLT4 P35916 5/20 0.57
P2RX1 P51575 1/20 0.48
RET P07949 3/20 0.47
PDGFRB P09619 3/20 0.47
KIT P10721 2/20 0.47
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL2432219 0.86 KDR (0.70) KDRFLT1FLT4P2RX1RET
SCHEMBL2430996 0.82 KDR (0.71) KDRFLT1FLT4RETPDGFRB
SCHEMBL2748558 0.76 KDR (0.56) KDRFLT1FLT4RETPDGFRB
SCHEMBL4548924 0.76 KDR (0.71) KDRFLT1FLT4RETPDGFRB
SCHEMBL2439076 0.75 KDR (0.68) KDRFLT1FLT4RETPDGFRB
SCHEMBL2435108 0.74 PTPN1 (0.49) KDRFLT1FLT4RETPDGFRB
SCHEMBL2472795 0.74 KDR (0.80) KDRFLT1FLT4RETPDGFRB
SCHEMBL2747755 0.73 KDR (0.70) KDRFLT1FLT4RETPDGFRB
SCHEMBL2434062 0.73 KDR (1.00) KDRFLT1FLT4RETPDGFRB
SCHEMBL2468937 0.72 KDR (0.66) KDRFLT1FLT4RETPDGFRB

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