SCHEMBL10036189

SCHEMBL10036189

CCn1c(NC2CCOCC2)nc(Nc2ccc(C3CCN(C)CC3)c(C)c2)c(C(N)=O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 9/20 0.51
ALK Q9UM73 9/20 0.51
RET P07949 8/20 0.51
ROS1 P08922 8/20 0.51
FLT3 P36888 8/20 0.51
AXL P30530 7/20 0.48
ETV6 P41212 5/20 0.48
PDE4B Q07343 1/20 0.44
PDE7A Q13946 1/20 0.44
SYK P43405 2/20 0.43
BMPR1B O00238 1/20 0.43
PLK4 O00444 1/20 0.43
CIT O14578 1/20 0.43
AURKA O14965 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
RIPK2 O43353 1/20 0.43
BUB1 O43683 1/20 0.43
SNRNP200 O75643 1/20 0.43
STK16 O75716 1/20 0.43

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
SCHEMBL10036374 0.86 PDE7A (0.45) EML4ALKRETROS1FLT3
SCHEMBL10036375 0.82 FLT3 (0.49) EML4ALKRETROS1FLT3
SCHEMBL10129512 0.73 EML4 (0.78) EML4ALKRETROS1FLT3
SCHEMBL10036191 0.73 SYK (0.44) EML4ALKRETROS1FLT3
SCHEMBL10127653 0.71 EML4 (0.56) EML4ALKRETROS1FLT3
SCHEMBL10129514 0.70 EML4 (0.77) EML4ALKRETROS1FLT3
SCHEMBL10129842 0.69 EML4 (0.88) EML4ALKRETROS1FLT3
SCHEMBL10127661 0.68 EML4 (0.60) EML4ALKRETROS1FLT3
SCHEMBL282415 0.67 RET (1.00) EML4ALKRETROS1FLT3
SCHEMBL10129505 0.67 EML4 (0.77) 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
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed