SCHEMBL7908577

SCHEMBL7908577

CSc1nc(N)n(-c2nnc(-c3ccccc3OCCNCCN3CCOCC3)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.39
CYP2D6 P10635 3/20 0.37
PRKDC P78527 1/20 0.36
ABL1 P00519 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BACE1 P56817 4/20 0.35
USP2 O75604 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
CLK4 Q9HAZ1 1/20 0.34
AXL P30530 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL7904730 0.98 FLT3 (0.40) FLT3CYP2D6PRKDCABL1KDM4E
SCHEMBL7904450 0.95 FLT3 (0.40) FLT3PRKDCKDM4EPOLBL3MBTL1
SCHEMBL7905726 0.95 FLT3 (0.40) FLT3ABL1KDM4EPOLBL3MBTL1
SCHEMBL7896411 0.91 USP2 (0.43) FLT3CYP2D6KDM4ECYP1A2POLB
SCHEMBL7903980 0.89 FLT3 (0.35) FLT3CYP2D6ABL1KDM4ECYP1A2
SCHEMBL7905773 0.85 BACE1 (0.39) FLT3CYP2D6PRKDCABL1KDM4E
SCHEMBL7908545 0.85 PRKDC (0.39) FLT3CYP2D6PRKDCABL1KDM4E
SCHEMBL7908490 0.85 FLT3 (0.42) FLT3CYP1A2LMNABACE1USP2
SCHEMBL7896514 0.83 HRH3 (0.42) CYP2D6KDM4EPOLBL3MBTL1LMNA
SCHEMBL7908450 0.83 HRH3 (0.43) CYP2D6KDM4EPOLBL3MBTL1LMNA

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