SCHEMBL7009404

SCHEMBL7009404

CCN(CC)CCNC(=O)c1c[nH]c(C=C2C(=O)Nc3cccc(-c4cccc(Br)c4)c32)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.53
PRKAA1 Q13131 10/20 0.53
PRKAA2 P54646 8/20 0.53
PDGFRB P09619 6/20 0.53
EGFR P00533 4/20 0.53
FGFR1 P11362 4/20 0.53
PDGFRA P16234 2/20 0.53
CHEK1 O14757 3/20 0.47
FLT3 P36888 3/20 0.45
PLK4 O00444 2/20 0.45
DCLK1 O15075 2/20 0.45
PDPK1 O15530 2/20 0.45
DAPK3 O43293 2/20 0.45
ROCK2 O75116 2/20 0.45
RPS6KA5 O75582 2/20 0.45
RPS6KA4 O75676 2/20 0.45
MAP4K4 O95819 2/20 0.45
CHEK2 O96017 2/20 0.45
NTRK1 P04629 2/20 0.45
INSR P06213 2/20 0.45

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
SCHEMBL7095008 0.85 KDR (0.53) KDRPRKAA1PRKAA2PDGFRBEGFR
SCHEMBL6322422 0.83 AKT2 (0.51) KDRPDGFRBEGFRFGFR1PDGFRA
SCHEMBL6322428 0.83 AKT2 (0.51) KDRPDGFRBEGFRFGFR1PDGFRA
SCHEMBL16137754 0.78 KDR (0.75) KDRPRKAA1PRKAA2PDGFRBEGFR
SCHEMBL12602180 0.77 KDR (0.73) KDRPRKAA1PRKAA2PDGFRBEGFR
SCHEMBL7097360 0.77 KDR (0.77) KDRPRKAA1PRKAA2PDGFRBEGFR
SCHEMBL7094971 0.76 KDR (0.58) KDRPRKAA1PRKAA2PDGFRBEGFR
SCHEMBL6321414 0.76 EGFR (0.48) KDRPDGFRBEGFRFGFR1FLT3
SCHEMBL6321410 0.76 EGFR (0.48) KDRPDGFRBEGFRFGFR1FLT3
SCHEMBL6404884 0.76 KDR (0.57) KDRPRKAA1PRKAA2PDGFRBEGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349852-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES Sugen, Inc. (US) 2003-10-08 EP disclosed
WO-2002055517-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES CUI JINGRONG (US) 2002-07-18 WO disclosed