SCHEMBL7678649

SCHEMBL7678649

CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cc(C(=O)O)ccc32)c1C.O=C1Cc2ccc(C(=O)O)cc2N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.69
PRKAA1 Q13131 12/20 0.69
PRKAA2 P54646 10/20 0.69
PDGFRB P09619 5/20 0.66
FGFR1 P11362 4/20 0.66
EGFR P00533 3/20 0.62
CSF1R P07333 3/20 0.62
FLT3 P36888 3/20 0.62
GRK5 P34947 3/20 0.62
PLK4 O00444 2/20 0.62
DCLK1 O15075 2/20 0.62
PDPK1 O15530 2/20 0.62
DAPK3 O43293 2/20 0.62
ROCK2 O75116 2/20 0.62
RPS6KA5 O75582 2/20 0.62
RPS6KA4 O75676 2/20 0.62
MAP4K4 O95819 2/20 0.62
CHEK2 O96017 2/20 0.62
NTRK1 P04629 2/20 0.62
INSR P06213 2/20 0.62

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
SCHEMBL7678653 0.93 PRKAA1 (0.69) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL2115444 0.92 PRKAA1 (0.80) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL13755240 0.92 PRKAA1 (0.80) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL31672467 0.92 PRKAA1 (0.80) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL16466924 0.86 KDR (0.80) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL16466926 0.86 KDR (0.80) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL29856331 0.83 PRKAA1 (0.84) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL31672544 0.83 PRKAA1 (0.79) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL16137746 0.83 PRKAA1 (0.79) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL2114115 0.83 PRKAA1 (0.79) KDRPRKAA1PRKAA2PDGFRBFGFR1

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-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP disclosed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO disclosed