SCHEMBL7095008

SCHEMBL7095008

CCN(CC)CCNC(=O)c1cc(C)c(C=C2C(=O)Nc3cccc(-c4cccc(Br)c4)c32)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.53
PRKAA1 Q13131 10/20 0.53
PDGFRB P09619 9/20 0.53
PRKAA2 P54646 8/20 0.53
EGFR P00533 6/20 0.53
FGFR1 P11362 4/20 0.53
PDGFRA P16234 2/20 0.53
ERBB2 P04626 1/20 0.49
KIT P10721 3/20 0.46
PLK4 O00444 2/20 0.46
DCLK1 O15075 2/20 0.46
PDPK1 O15530 2/20 0.46
DAPK3 O43293 2/20 0.46
ROCK2 O75116 2/20 0.46
RPS6KA5 O75582 2/20 0.46
RPS6KA4 O75676 2/20 0.46
MAP4K4 O95819 2/20 0.46
CHEK2 O96017 2/20 0.46
NTRK1 P04629 2/20 0.46
INSR P06213 2/20 0.46

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
SCHEMBL7096211 0.91 KDR (0.56) KDRPRKAA1PDGFRBPRKAA2EGFR
SCHEMBL6404884 0.91 KDR (0.57) KDRPRKAA1PDGFRBPRKAA2EGFR
SCHEMBL7009559 0.88 KDR (0.58) KDRPRKAA1PDGFRBPRKAA2EGFR
SCHEMBL7100124 0.88 KDR (0.57) KDRPRKAA1PDGFRBPRKAA2EGFR
SCHEMBL7009404 0.85 KDR (0.53) KDRPRKAA1PDGFRBPRKAA2EGFR
SCHEMBL14448818 0.84 KDR (0.71) KDRPRKAA1PDGFRBPRKAA2EGFR
SCHEMBL6322309 0.82 KDR (0.50) KDRPDGFRBEGFRFGFR1PDGFRA
SCHEMBL6321545 0.82 KDR (0.50) KDRPDGFRBEGFRFGFR1PDGFRA
SCHEMBL2114044 0.79 KDR (0.67) KDRPRKAA1PDGFRBPRKAA2EGFR
SCHEMBL13755172 0.79 KDR (0.67) KDRPRKAA1PDGFRBPRKAA2EGFR

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