SCHEMBL16824786

SCHEMBL16824786

Fc1ccc2ncc(-c3nc(Cl)c(F)c(NC4CCCNC4)n3)n2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.54
IRAK4 Q9NWZ3 8/20 0.54
IRAK1 P51617 3/20 0.54
LCK P06239 2/20 0.54
RET P07949 2/20 0.54
PDGFRB P09619 2/20 0.54
CDK7 P50613 2/20 0.54
BLK P51451 2/20 0.54
CCNH P51946 2/20 0.54
SRPK1 Q96SB4 1/20 0.54
NRAS P01111 5/20 0.46
CHEK1 O14757 3/20 0.45
MAPKAPK2 P49137 2/20 0.45
CCNT1 O60563 1/20 0.39
CCNK O75909 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK12 Q9NYV4 1/20 0.39

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
Hydrochloric Acid SCHEMBL16824756 0.91 FLT3 (0.51) FLT3IRAK4IRAK1LCKRET
SCHEMBL1995527 0.89 IRAK4 (0.54) FLT3IRAK4IRAK1LCKRET
SCHEMBL12616166 0.89 IRAK4 (0.54) FLT3IRAK4IRAK1LCKRET
SCHEMBL1994861 0.87 FLT3 (0.51) FLT3IRAK4IRAK1LCKRET
SCHEMBL1994864 0.87 FLT3 (0.51) FLT3IRAK4IRAK1LCKRET
SCHEMBL1996301 0.85 FLT3 (0.49) FLT3IRAK4IRAK1LCKRET
SCHEMBL2051378 0.85 FLT3 (0.49) FLT3IRAK4IRAK1LCKRET
SCHEMBL2054238 0.84 FLT3 (0.49) FLT3IRAK4IRAK1LCKRET
SCHEMBL2054237 0.84 FLT3 (0.49) FLT3IRAK4IRAK1LCKRET
SCHEMBL16824628 0.84 IRAK4 (0.45) FLT3IRAK4IRAK1LCKRET

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-2015091531-A1 IMIDAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-25 WO disclosed