SCHEMBL20762

SCHEMBL20762

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 9/20 0.70
PDPK1 O15530 9/20 0.67
RET P07949 2/20 0.61
PDGFRB P09619 2/20 0.58
PDGFRA P16234 1/20 0.58
FLT1 P17948 1/20 0.58
KDR P35968 1/20 0.58
NTRK1 P04629 1/20 0.58
JAK3 P52333 2/20 0.58
CDK1 P06493 1/20 0.57
CCNB1 P14635 1/20 0.57
NEK2 P51955 1/20 0.57
FLT3 P36888 1/20 0.56
ALK Q9UM73 1/20 0.56

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
SCHEMBL20763 1.00 TLK2 (0.70) TLK2PDPK1RETPDGFRBPDGFRA
SCHEMBL5369374 0.88 TLK2 (0.71) TLK2PDPK1RETPDGFRBPDGFRA
SCHEMBL25111 0.85 TLK2 (0.69) TLK2PDPK1RETPDGFRBPDGFRA
SCHEMBL12473999 0.85 TLK2 (0.69) TLK2PDPK1RETPDGFRBPDGFRA
SCHEMBL5728025 0.81 TLK2 (1.00) TLK2PDPK1RETPDGFRBPDGFRA
SCHEMBL5728024 0.81 TLK2 (1.00) TLK2PDPK1RETPDGFRBPDGFRA
SCHEMBL5361499 0.77 PDPK1 (0.71) TLK2PDPK1RETPDGFRBPDGFRA
SCHEMBL5727973 0.77 PDPK1 (1.00) TLK2PDPK1RETPDGFRBPDGFRA
SCHEMBL5727977 0.77 PDPK1 (1.00) TLK2PDPK1RETPDGFRBPDGFRA
SCHEMBL5374151 0.77 PDPK1 (0.78) TLK2PDPK1RETPDGFRBPDGFRA

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