SCHEMBL21025595

SCHEMBL21025595

CC1(F)CCC(NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
BTK Q06187 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
APLNR P35414 1/20 0.39
EPHX1 P07099 1/20 0.35
CTSK P43235 3/20 0.35
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CTSS P25774 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 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
SCHEMBL6344084 0.89 GAA (0.43) GAABTKKMT2AMEN1MAPK1
SCHEMBL15600327 0.87 GAA (0.44) GAABTKKMT2AMEN1MAPK1
SCHEMBL31168732 0.86 GAA (0.43) GAABTKKMT2AMEN1MAPK1
SCHEMBL2074992 0.83 GAA (0.51) GAABTKKMT2AMEN1MAPK1
SCHEMBL22145377 0.81 GAA (0.42) GAABTKKMT2AMEN1MAPK1
SCHEMBL573789 0.80 GAA (0.61) GAABTKKMT2AMEN1MAPK1
SCHEMBL4492849 0.80 BTK (0.58) GAABTKKMT2AMEN1MAPK1
SCHEMBL54785 0.79 GAA (0.40) GAABTKKMT2AMEN1MAPK1
SCHEMBL31021350 0.79 KMT2A (0.45) GAABTKKMT2AMEN1MAPK1
SCHEMBL5287930 0.78 GAA (0.64) GAABTKKMT2AMEN1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119765-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3119772-B1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed