SCHEMBL6961535

SCHEMBL6961535

COc1ccc(-c2[nH]nc(N3CCN(c4ccccc4)CC3)c2N=C=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.47
LCK P06239 1/20 0.46
MAP4K3 Q8IVH8 1/20 0.46
MAP4K1 Q92918 1/20 0.46
HTR7 P34969 1/20 0.46
MAPT P10636 8/20 0.45
SCD5 Q86SK9 1/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
GSK3B P49841 1/20 0.41
CFTR P13569 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6959773 0.90 KIT (0.38) KITLCKMAP4K3MAP4K1HTR7
SCHEMBL6956633 0.87 MAPT (0.44) LCKMAP4K3MAP4K1MAPTALDH1A1
SCHEMBL6966890 0.86 KIT (0.47) KITHTR7MAPTALDH1A1HPGD
SCHEMBL6966403 0.85 FYN (0.43) MAP4K1HTR7MAPTALDH1A1HPGD
SCHEMBL6954193 0.84 ALDH1A1 (0.44) LCKMAP4K3MAP4K1HTR7MAPT
SCHEMBL6959299 0.84 MEN1 (0.42) MAP4K1MAPTHPGDDRD2DRD4
SCHEMBL6966648 0.83 TP53 (0.41) MAP4K1MAPTALDH1A1HPGDNPSR1
SCHEMBL6955336 0.82 POLB (0.42) HTR7MAPTALDH1A1KDM4ETP53
SCHEMBL6965770 0.82 MAPT (0.42) LCKMAP4K3MAP4K1HTR7MAPT
SCHEMBL6960415 0.81 MAPT (0.46) LCKMAP4K3MAP4K1MAPTSCD5

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
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed