SCHEMBL10036374

SCHEMBL10036374

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.45
PDE4B Q07343 3/20 0.45
RET P07949 7/20 0.43
ROS1 P08922 7/20 0.43
FLT3 P36888 7/20 0.43
EML4 Q9HC35 6/20 0.43
ALK Q9UM73 6/20 0.43
SYK P43405 2/20 0.42
AXL P30530 3/20 0.40
ETV6 P41212 3/20 0.40
WEE1 P30291 1/20 0.37

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
SCHEMBL10036189 0.86 EML4 (0.51) PDE7APDE4BRETROS1FLT3
SCHEMBL10036375 0.68 FLT3 (0.49) PDE7APDE4BRETROS1FLT3
SCHEMBL10129512 0.66 EML4 (0.78) RETROS1FLT3EML4ALK
SCHEMBL10127653 0.64 EML4 (0.56) RETROS1FLT3EML4ALK
SCHEMBL10129514 0.63 EML4 (0.77) RETROS1FLT3EML4ALK
SCHEMBL10129842 0.62 EML4 (0.88) RETROS1FLT3EML4ALK
SCHEMBL12929658 0.61 ZAP70 (0.63) SYKWEE1
SCHEMBL10127661 0.61 EML4 (0.60) RETROS1FLT3EML4ALK
SCHEMBL10036191 0.61 SYK (0.44) RETROS1FLT3EML4ALK
SCHEMBL282415 0.60 RET (1.00) RETROS1FLT3EML4ALK

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