SCHEMBL328302

SCHEMBL328302

CCCOCCCNc1nc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(N)=O)nc1CC

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 10/20 0.53
ALK Q9UM73 10/20 0.53
RET P07949 7/20 0.53
ROS1 P08922 7/20 0.53
FLT3 P36888 7/20 0.53
SYK P43405 3/20 0.48
EGFR P00533 3/20 0.47
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL10126791 0.83 EML4 (0.53) EML4ALKRETROS1FLT3
SCHEMBL10129377 0.83 ALK (0.77) EML4ALKRETROS1FLT3
SCHEMBL10129894 0.83 EML4 (0.77) EML4ALKRETROS1FLT3
SCHEMBL16207289 0.79 EML4 (0.49) EML4ALKRETROS1FLT3
SCHEMBL16207073 0.78 EGFR (0.55) EML4ALKRETROS1FLT3
SCHEMBL16195466 0.77 EML4 (0.63) EML4ALKRETROS1FLT3
SCHEMBL16206762 0.76 EGFR (0.62) EML4ALKRETROS1FLT3
SCHEMBL16206916 0.76 EML4 (0.63) EML4ALKRETROS1FLT3
SCHEMBL16195441 0.75 EML4 (0.73) EML4ALKRETROS1FLT3
SCHEMBL18251099 0.75 EML4 (0.65) EML4ALKRETROS1FLT3

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
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed