SCHEMBL6672697

SCHEMBL6672697

O=C(c1n[nH]c2ccc(CN3CCOCC3)cc2c1=O)N(CSc1ccccc1)Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK1 O14757 2/20 0.38
AKR1C3 P42330 1/20 0.38
MAP4K4 O95819 1/20 0.38
NTRK1 P04629 1/20 0.38
FLT3 P36888 1/20 0.38
GALR3 O60755 1/20 0.38
GSK3B P49841 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL6670245 0.85 FLT3 (0.40) JAK2MAPTCHEK1AKR1C3MAP4K4
SCHEMBL6672201 0.85 JAK2 (0.39) JAK2RAB9ANPC1MAPTCHEK1
SCHEMBL6667774 0.83 CHEK1 (0.46) JAK2RAB9ANPC1CHEK1AKR1C3
SCHEMBL6668351 0.81 ALDH1A1 (0.44) JAK2MAPTAKR1C3KCNH2KDM4E
SCHEMBL6671985 0.80 JAK2 (0.39) JAK2RAB9ANPC1CHEK1AKR1C3
SCHEMBL6667777 0.75 RAB9A (0.55) JAK2RAB9ANPC1MAPTGSK3B
SCHEMBL7532630 0.74 JAK2 (0.55) JAK2CHEK1GSK3BKCNH2PARP1
SCHEMBL7007040 0.71 PDE1B (0.45) JAK2RAB9ANPC1LMNAMAPK1
SCHEMBL6667428 0.71 ALDH1A1 (0.51) JAK2MAPTHTTKDM4EGAA
SCHEMBL6696488 0.69 ALDH1A1 (0.49) RAB9ANPC1MAPTLMNAMAPK1

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