SCHEMBL6672201

SCHEMBL6672201

O=C(c1n[nH]c2ccc(CN3CCOCC3)cc2c1=O)N(Cc1ccc(Cl)cc1)C[S+]([O-])c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
CHEK1 O14757 2/20 0.37
AKR1C3 P42330 1/20 0.37
MAP4K4 O95819 1/20 0.37
NTRK1 P04629 1/20 0.37
FLT3 P36888 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
KCNH2 Q12809 2/20 0.37
GSK3B P49841 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL6672697 0.85 JAK2 (0.40) JAK2CHEK1AKR1C3MAP4K4NTRK1
SCHEMBL6670245 0.84 FLT3 (0.40) JAK2CHEK1AKR1C3MAP4K4NTRK1
SCHEMBL6667411 0.82 ALDH1A1 (0.46) JAK2KDM4EGAAALDH1A1GLA
SCHEMBL6667774 0.82 CHEK1 (0.46) JAK2CHEK1AKR1C3KDM4EGAA
SCHEMBL6671985 0.79 JAK2 (0.39) JAK2CHEK1AKR1C3KDM4EALDH1A1
SCHEMBL6667777 0.73 RAB9A (0.55) JAK2KDM4EGAAKCNH2GSK3B
SCHEMBL7532630 0.73 JAK2 (0.55) JAK2CHEK1KCNH2GSK3BPARP1
SCHEMBL6667428 0.72 ALDH1A1 (0.51) JAK2KDM4EGAAALDH1A1GLA
SCHEMBL6667863 0.70 ALDH1A1 (0.43) JAK2KDM4EGAAALDH1A1GLA
SCHEMBL7007040 0.70 PDE1B (0.45) JAK2CHEK1AKR1C3KCNH2GSK3B

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
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed