SCHEMBL4824233

SCHEMBL4824233

CCOc1cccc(-c2c(/C=C3\C(=O)Nc4ccccc43)[nH]c(C)c2C(=O)NCCN(CC)CC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA1 Q13131 14/20 0.69
KDR P35968 13/20 0.69
PRKAA2 P54646 12/20 0.69
PDGFRB P09619 6/20 0.69
FGFR1 P11362 4/20 0.69
EGFR P00533 4/20 0.57
FLT3 P36888 3/20 0.57
PLK4 O00444 2/20 0.57
DCLK1 O15075 2/20 0.57
PDPK1 O15530 2/20 0.57
DAPK3 O43293 2/20 0.57
ROCK2 O75116 2/20 0.57
RPS6KA5 O75582 2/20 0.57
RPS6KA4 O75676 2/20 0.57
MAP4K4 O95819 2/20 0.57
CHEK2 O96017 2/20 0.57
NTRK1 P04629 2/20 0.57
INSR P06213 2/20 0.57
LCK P06239 2/20 0.57
FYN P06241 2/20 0.57

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
SCHEMBL4824238 1.00 PRKAA1 (0.69) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL4750913 0.93 KDR (0.70) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL4750914 0.93 KDR (0.70) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL4751145 0.89 KDR (0.73) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL4806038 0.88 KDR (0.71) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL4812816 0.88 KDR (0.71) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL4812804 0.88 KDR (0.71) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL4806046 0.88 KDR (0.71) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL4911872 0.87 KDR (0.69) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL4911862 0.87 KDR (0.69) PRKAA1KDRPRKAA2PDGFRBFGFR1

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
WO-2008145398-A1 4-ARYLPYRROLE SUBSTITUTED 2-INDOLINE DERIVATIVES ACTIVE AS PROTEIN KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2008-12-04 WO claimed