SCHEMBL25111

SCHEMBL25111

CCCC(CCC)C(=O)Oc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 9/20 0.69
PDPK1 O15530 9/20 0.64
NTRK1 P04629 1/20 0.56
RET P07949 2/20 0.55
PDGFRB P09619 2/20 0.55
PDGFRA P16234 1/20 0.55
FLT1 P17948 1/20 0.55
KDR P35968 1/20 0.55
JAK3 P52333 2/20 0.55
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
NEK2 P51955 1/20 0.54
FLT3 P36888 1/20 0.53
ALK Q9UM73 1/20 0.53

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
SCHEMBL12473999 1.00 TLK2 (0.69) TLK2PDPK1NTRK1RETPDGFRB
SCHEMBL20763 0.85 TLK2 (0.70) TLK2PDPK1NTRK1RETPDGFRB
SCHEMBL20762 0.85 TLK2 (0.70) TLK2PDPK1NTRK1RETPDGFRB
SCHEMBL5369374 0.81 TLK2 (0.71) TLK2PDPK1NTRK1RETPDGFRB
SCHEMBL20229 0.80 RET (0.64) TLK2PDPK1NTRK1RETPDGFRB
SCHEMBL20228 0.80 RET (0.64) TLK2PDPK1NTRK1RETPDGFRB
SCHEMBL5728025 0.79 TLK2 (1.00) TLK2PDPK1NTRK1RETPDGFRB
SCHEMBL5728024 0.79 TLK2 (1.00) TLK2PDPK1NTRK1RETPDGFRB
SCHEMBL5374151 0.76 PDPK1 (0.78) TLK2PDPK1NTRK1RETPDGFRB
SCHEMBL12474012 0.75 TLK2 (0.38) TLK2PDPK1RETPDGFRAKDR

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-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO claimed
WO-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO disclosed