SCHEMBL1542333

SCHEMBL1542333

CCN(CC)CCNC(=O)Oc1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.75
PRKAA1 Q13131 13/20 0.75
PRKAA2 P54646 12/20 0.75
PDGFRB P09619 7/20 0.75
FGFR1 P11362 5/20 0.75
CSF1R P07333 3/20 0.75
EGFR P00533 3/20 0.75
PLK4 O00444 2/20 0.75
DCLK1 O15075 2/20 0.75
PDPK1 O15530 2/20 0.75
DAPK3 O43293 2/20 0.75
ROCK2 O75116 2/20 0.75
RPS6KA5 O75582 2/20 0.75
RPS6KA4 O75676 2/20 0.75
MAP4K4 O95819 2/20 0.75
CHEK2 O96017 2/20 0.75
NTRK1 P04629 2/20 0.75
INSR P06213 2/20 0.75
LCK P06239 2/20 0.75
FYN P06241 2/20 0.75

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
Malic Acid SCHEMBL2337434 0.92 KDR (0.78) KDRPRKAA1PRKAA2PDGFRBFGFR1
Sunitinib SCHEMBL8082 0.85 KDR (1.00) KDRPRKAA1PRKAA2PDGFRBFGFR1
Sunitinib SCHEMBL20805212 0.85 KDR (1.00) KDRPRKAA1PRKAA2PDGFRBFGFR1
Sunitinib SCHEMBL30314241 0.85 KDR (1.00) KDRPRKAA1PRKAA2PDGFRBFGFR1
Sunitinib SCHEMBL25343938 0.85 KDR (1.00) KDRPRKAA1PRKAA2PDGFRBFGFR1
Sunitinib SCHEMBL25343935 0.85 KDR (1.00) KDRPRKAA1PRKAA2PDGFRBFGFR1
Sunitinib SCHEMBL8081 0.85 KDR (1.00) KDRPRKAA1PRKAA2PDGFRBFGFR1
Sunitinib SCHEMBL2296353 0.85 KDR (0.98) KDRPRKAA1PRKAA2PDGFRBFGFR1
Sunitinib SCHEMBL23668540 0.85 KDR (0.98) KDRPRKAA1PRKAA2PDGFRBFGFR1
Sunitinib SCHEMBL28454734 0.85 KDR (0.98) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427326-B1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2008-11-19 EP claimed
EP-1255752-B1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2007-08-08 EP claimed
EP-2306990-B1 PHARMACEUTICAL COMPOSITION COMPRISING N-[2-(DIETHYLAMINO)ETHYL]-5-[(5-FLUORO-1,2- DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL]-2,4-DIMETHYL-1 H-PYRROLE-3-CARBOXAMIDE RATIOPHARM GMBH (DE) 2011-11-23 EP disclosed
EP-2306990-A1 PHARMACEUTICAL COMPOSITION COMPRISING N-[2-(DIETHYLAMINO)ETHYL]-5-[(5-FLUORO-1,2- DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL]-2,4-DIMETHYL-1 H-PYRROLE-3-CARBOXAMIDE Ratiopharm GmbH (DE) 2011-04-13 EP disclosed