SCHEMBL1325263

SCHEMBL1325263

O=C(Nc1cccc(OC(F)(F)F)c1)c1coc2cc(Oc3cc(COCc4ccccc4)ncn3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.47
FLT1 P17948 4/20 0.47
FLT4 P35916 3/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
MAP2K7 O14733 3/20 0.47
MAOB P27338 1/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
P2RX1 P51575 1/20 0.39

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
SCHEMBL1325194 0.90 KDR (0.59) KDRFLT1FLT4RETPDGFRB
SCHEMBL12124670 0.90 MAP2K7 (0.46) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325203 0.89 KDR (0.52) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325254 0.89 KDR (0.59) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324088 0.87 KDR (0.49) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325333 0.82 MAOB (0.42) KDRMAP2K7MAOBALDH1A1MAPT
SCHEMBL4304598 0.81 MAP2K7 (0.41) KDRFLT1FLT4RETPDGFRB
SCHEMBL12124669 0.79 KDR (0.56) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325204 0.79 KDR (0.40) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324951 0.79 NR2E1 (0.52) 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-8058276-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2011-11-15 US disclosed