SCHEMBL19684701

SCHEMBL19684701

CCOC(=O)c1c(-c2nccn2-c2ccc(N)cc2)n(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ADORA1 P30542 2/20 0.46
APP P05067 1/20 0.46
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
ELANE P08246 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GSR P00390 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL19639773 0.89 ELANE (0.53) ELANECYP2C9CYP3A4
SCHEMBL19639806 0.78 ELANE (0.43) ELANECYP2C9CYP3A4
SCHEMBL19639781 0.77 MAPT (0.49) MAPTADORA1APPTP53POLB
SCHEMBL19639807 0.77 ELANE (0.48) ELANECYP2C9CYP3A4
SCHEMBL19639794 0.76 MAPT (0.47) MAPTADORA1APPTP53POLB
SCHEMBL19639762 0.76 MAPT (0.48) MAPTADORA1APPTP53POLB
SCHEMBL19639760 0.76 MAPT (0.47) MAPTADORA1APPTP53POLB
SCHEMBL19640024 0.75 ELANE (0.54) ELANECYP2C9CYP3A4
SCHEMBL19639824 0.74 ELANE (0.44) ELANECYP2C9CYP3A4PDE4D
SCHEMBL19639823 0.70 ALDH1A1 (0.47) MAPTADORA1APPTP53POLB

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-2017207432-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed