SCHEMBL4014854

SCHEMBL4014854

COC(=O)CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA1 Q13131 7/20 0.75
PRKAA2 P54646 6/20 0.75
KDR P35968 9/20 0.74
TLK2 Q86UE8 3/20 0.74
PDGFRB P09619 11/20 0.73
FGFR1 P11362 7/20 0.73
HDAC3 O15379 5/20 0.72
HDAC4 P56524 5/20 0.72
HDAC1 Q13547 5/20 0.72
HDAC7 Q8WUI4 5/20 0.72
HDAC2 Q92769 5/20 0.72
HDAC10 Q969S8 5/20 0.72
HDAC11 Q96DB2 5/20 0.72
HDAC8 Q9BY41 5/20 0.72
HDAC6 Q9UBN7 5/20 0.72
HDAC9 Q9UKV0 5/20 0.72
HDAC5 Q9UQL6 5/20 0.72
PLK4 O00444 2/20 0.71
DCLK1 O15075 2/20 0.71
PDPK1 O15530 2/20 0.71

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
SCHEMBL3933647 0.96 PRKAA1 (0.71) PRKAA1PRKAA2KDRTLK2PDGFRB
SCHEMBL3933120 0.92 PDGFRB (0.80) PRKAA1PRKAA2KDRTLK2PDGFRB
SCHEMBL1626038 0.91 PDGFRB (0.81) PRKAA1PRKAA2KDRTLK2PDGFRB
SCHEMBL1626040 0.91 PDGFRB (0.81) PRKAA1PRKAA2KDRTLK2PDGFRB
SCHEMBL13961195 0.91 PRKAA1 (0.78) PRKAA1PRKAA2KDRTLK2PDGFRB
SCHEMBL2116966 0.91 PRKAA1 (0.78) PRKAA1PRKAA2KDRTLK2PDGFRB
SCHEMBL31672446 0.91 PRKAA1 (0.78) PRKAA1PRKAA2KDRTLK2PDGFRB
SCHEMBL13960180 0.90 PRKAA1 (0.80) PRKAA1PRKAA2KDRTLK2PDGFRB
SCHEMBL1626727 0.89 HDAC3 (0.81) PRKAA1PRKAA2KDRTLK2PDGFRB
SCHEMBL1626728 0.89 HDAC3 (0.81) PRKAA1PRKAA2KDRTLK2PDGFRB

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-2009014941-A1 3-(4-AMIDOPYRROL-2-YLMETHLIDENE)-2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS SHENZEN CHIPSCREEN BIOSCIENCE, LTD. (CN) 2009-01-29 WO disclosed