SCHEMBL10036191

SCHEMBL10036191

Cc1cc(Nc2nc(NC3CCOCC3)[nH]c(=O)c2C(N)=O)ccc1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.44
WEE1 P30291 1/20 0.40
ZAP70 P43403 1/20 0.40
FLT3 P36888 5/20 0.38
RET P07949 4/20 0.38
ROS1 P08922 4/20 0.38
EML4 Q9HC35 3/20 0.38
ALK Q9UM73 3/20 0.38
KIT P10721 1/20 0.38
BRD4 O60885 1/20 0.38
AXL P30530 6/20 0.38
ETV6 P41212 3/20 0.37
KCNH2 Q12809 2/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL10036188 0.76 FLT3 (0.43) SYKFLT3RETROS1EML4
SCHEMBL2719063 0.75 SYK (0.58) SYKZAP70KCNH2MAPK3MAPK1
SCHEMBL10036189 0.73 EML4 (0.51) SYKFLT3RETROS1EML4
SCHEMBL10036375 0.72 FLT3 (0.49) SYKWEE1FLT3RETROS1
SCHEMBL10272164 0.70 SYK (0.53) SYK
SCHEMBL10128186 0.69 CDK9 (0.45) SYKALK
SCHEMBL2716069 0.69 SYK (0.56) SYKFLT3RETALKAURKB
SCHEMBL10128611 0.69 EML4 (0.61) SYKEML4ALKBRD4
SCHEMBL10129343 0.69 ALK (0.65) FLT3RETROS1EML4ALK
SCHEMBL10128535 0.68 SYK (0.64) SYKZAP70RETROS1ALK

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