SCHEMBL7908545

SCHEMBL7908545

Nc1nc(N2CCOCC2)nn1-c1nnc(-c2ccccc2OCCCNCCN2CCOCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.39
FLT3 P36888 2/20 0.39
BACE1 P56817 3/20 0.39
AXL P30530 2/20 0.39
USP2 O75604 1/20 0.37
KDM4E B2RXH2 3/20 0.36
KDM1A O60341 1/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CB P42338 2/20 0.36
CYP2D6 P10635 2/20 0.35
ABL1 P00519 1/20 0.35
KIT P10721 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL7905773 0.94 BACE1 (0.39) PRKDCFLT3BACE1AXLUSP2
SCHEMBL7904730 0.88 FLT3 (0.40) PRKDCFLT3BACE1AXLUSP2
SCHEMBL7904007 0.87 USP2 (0.40) FLT3BACE1AXLUSP2KDM4E
SCHEMBL7896551 0.86 CNR2 (0.36) FLT3BACE1AXLUSP2KDM4E
SCHEMBL7908577 0.85 FLT3 (0.39) PRKDCFLT3BACE1AXLUSP2
SCHEMBL7905726 0.84 FLT3 (0.40) FLT3USP2KDM4EKDM1AABL1
SCHEMBL7904450 0.84 FLT3 (0.40) PRKDCFLT3USP2KDM4EKDM1A
SCHEMBL7908481 0.84 PIK3CB (0.44) PRKDCBACE1AXLKDM4EPIK3CA
SCHEMBL7896411 0.79 USP2 (0.43) FLT3USP2KDM4ECYP2D6POLB
SCHEMBL7905966 0.78 CYP2D6 (0.49) FLT3BACE1AXLKDM4EPIK3CA

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
US-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed