SCHEMBL21884786

SCHEMBL21884786

CN(C)c1nccc(-c2ccc(O)c(C(=O)NC(N)N)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
AAK1 Q2M2I8 1/20 0.41
DYRK1A Q13627 7/20 0.41
ALOX5 P09917 1/20 0.39
XDH P47989 1/20 0.36
JAK2 O60674 1/20 0.36
FLT3 P36888 1/20 0.36
MCL1 Q07820 1/20 0.35
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
CHUK O15111 1/20 0.34
CLK1 P49759 2/20 0.34
ENPP2 Q13822 2/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL21884416 0.83 PDPK1 (0.42) PDPK1AAK1DYRK1AJAK2FLT3
SCHEMBL7231775 0.66 CAMK2D (0.54) PDPK1DYRK1AGAA
SCHEMBL14253975 0.64 CAMK2D (0.57) JAK2FLT3PIK3CA
SCHEMBL14253992 0.62 SYK (0.54) JAK2FLT3PIK3CA
SCHEMBL21884787 0.62 MAP2K3 (0.49) CHUKMAPTROCK2
SCHEMBL10917245 0.62 DYRK1A (0.50) PDPK1AAK1DYRK1ACLK1
SCHEMBL14253974 0.61 MAPK8 (0.61) JAK2PIK3CA
SCHEMBL28886710 0.61 AURKA (0.55) PDPK1DYRK1ACLK1
SCHEMBL10918699 0.61 DYRK1A (0.53) PDPK1DYRK1ACLK1MAPT
SCHEMBL14253998 0.61 MTOR (0.52) JAK2FLT3PIK3CAMTOR

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-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed