SCHEMBL16488289

SCHEMBL16488289

B=C(N[C@@H](CC)c1ccccc1)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C)C(=O)N2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK5 P34947 3/20 0.77
▸ KDR P35968 14/20 0.67
▸ PRKAA1 Q13131 11/20 0.67
▸ PRKAA2 P54646 10/20 0.67
▸ PDGFRB P09619 6/20 0.67
▸ FGFR1 P11362 4/20 0.67
▸ EGFR P00533 3/20 0.65
▸ FLT3 P36888 3/20 0.65
▸ CSF1R P07333 3/20 0.65
▸ PLK4 O00444 2/20 0.65
▸ DCLK1 O15075 2/20 0.65
▸ PDPK1 O15530 2/20 0.65
▸ DAPK3 O43293 2/20 0.65
▸ ROCK2 O75116 2/20 0.65
▸ RPS6KA5 O75582 2/20 0.65
▸ RPS6KA4 O75676 2/20 0.65
▸ MAP4K4 O95819 2/20 0.65
▸ CHEK2 O96017 2/20 0.65
▸ NTRK1 P04629 2/20 0.65
▸ INSR P06213 2/20 0.65

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
SCHEMBL16488306 1.00 GRK5 (0.77) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL16466858 0.94 GRK5 (0.85) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL16466853 0.94 GRK5 (0.85) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL16466653 0.94 GRK5 (0.85) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL16466657 0.94 GRK5 (0.85) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL25311031 0.87 GRK5 (1.00) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL16466668 0.87 GRK5 (1.00) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL16466800 0.87 GRK5 (1.00) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL16466664 0.87 GRK5 (1.00) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL25311040 0.87 GRK5 (1.00) GRK5KDRPRKAA1PRKAA2PDGFRB

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
WO-2015022437-A1 INDOLINONE DERIVATIVES AS GRK5 MODULATORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-02-19 — — WO disclosed
EP-2837626-A1 Indolinone derivatives as GRK5 modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-02-18 — — EP disclosed
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