SCHEMBL7368010

SCHEMBL7368010

COc1cccc(C(=O)Nc2ccc3c(C(=O)OC(C)(C)C)n[nH]c3c2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.46
NTRK1 P04629 1/20 0.45
NTRK2 Q16620 1/20 0.45
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
KCNK3 O14649 4/20 0.42
KCNK9 Q9NPC2 4/20 0.42
CDK2 P24941 2/20 0.42
DYRK3 O43781 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
MARK3 P27448 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3B P49841 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK1G2 P78368 1/20 0.42
CDK5 Q00535 1/20 0.42
MAP4K2 Q12851 1/20 0.42
PRKAA1 Q13131 1/20 0.42

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
SCHEMBL7366169 0.89 FLT3 (0.43) FLT3CDK2CSNK2A1DYRK1AJAK2
SCHEMBL7367473 0.88 SMN1; SMN2 (0.46) FLT3NTRK1NTRK2NPC1POLB
SCHEMBL7367977 0.85 JAK2 (0.46) FLT3NTRK1NTRK2NPC1RAB9A
SCHEMBL7369592 0.84 NR1H4 (0.50) FLT3NTRK1NTRK2KCNK3KCNK9
SCHEMBL7366495 0.82 FLT3 (0.45) FLT3NTRK1NTRK2NPC1RAB9A
SCHEMBL7371218 0.80 MEN1 (0.53) FLT3POLBRAB9ACSNK2A1MAPK1
SCHEMBL7368426 0.79 NPC1 (0.54) FLT3NPC1POLBRAB9ACDK2
SCHEMBL7371977 0.79 NR1H4 (0.46) FLT3KCNK9TP53SMN1; SMN2
SCHEMBL7370817 0.79 HTT (0.51) FLT3POLBRAB9AALDH1A1LMNA
SCHEMBL7365502 0.78 JAK2 (0.41) FLT3NTRK1NTRK2CDK2CSNK2A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed