SCHEMBL1901153

SCHEMBL1901153

COc1nc(N2CCCCC2)nc2oc(-c3ccc(C4(N(C(=O)O)C(C)(C)C)CCC4)cc3)c(-c3ccccc3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.35
TNK2 Q07912 4/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
MERTK Q12866 1/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 5/20 0.33
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
MAPK1 P28482 1/20 0.33
EGFR P00533 2/20 0.32
KDR P35968 2/20 0.32
JAK2 O60674 1/20 0.32
SRC P12931 1/20 0.32
ZAP70 P43403 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL1898806 0.94 HSD17B10 (0.39) LCKTNK2KCNQ3KCNQ2ALDH1A1
SCHEMBL1900099 0.93 LCK (0.35) LCKTNK2MERTKEGFRKDR
SCHEMBL1908428 0.87 MERTK (0.35) LCKTNK2MERTKALDH1A1HPGD
SCHEMBL1900820 0.84 MERTK (0.34) LCKTNK2MERTKALDH1A1HPGD
SCHEMBL1905820 0.82 ALDH1A1 (0.39) LCKTNK2KCNQ3KCNQ2MERTK
SCHEMBL1905199 0.82 AKT1 (0.43) AKT1AKT2
SCHEMBL1905018 0.79 EGFR (0.34) LCKTNK2MERTKALDH1A1HPGD
SCHEMBL1899937 0.77 AKT1 (0.42) AKT1AKT2
SCHEMBL1904913 0.76 ALDH1A1 (0.41) LCKTNK2KCNQ3KCNQ2ALDH1A1
SCHEMBL12095366 0.76 KDM4E (0.37) LCKTNK2MERTKALDH1A1HPGD

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-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO disclosed