SCHEMBL7365502

SCHEMBL7365502

CC(C)(C)OC(=O)c1n[nH]c2cc(NC(=O)c3ccc(N)cc3NC(=O)c3ccccc3C(C)(C)C)ccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
CFTR P13569 3/20 0.39
PTGS1 P23219 1/20 0.38
FLT3 P36888 5/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAP4K1 Q92918 1/20 0.37
CDK2 P24941 1/20 0.37
NAMPT P43490 1/20 0.37
NTRK1 P04629 3/20 0.36
NTRK2 Q16620 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PTGES O14684 1/20 0.36
ULK1 O75385 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
SCHEMBL7367697 0.87 NR1H4 (0.45) NAMPT
SCHEMBL7367977 0.84 JAK2 (0.46) JAK2JAK1PTGS1FLT3ALDH1A1
SCHEMBL7364651 0.81 NR1H4 (0.45) NAMPT
SCHEMBL7366495 0.81 FLT3 (0.45) JAK2JAK1FLT3ALDH1A1LMNA
SCHEMBL7373717 0.81 NR1H4 (0.57) FLT3
SCHEMBL7366169 0.79 FLT3 (0.43) JAK2JAK1FLT3ALDH1A1LMNA
SCHEMBL7368010 0.78 FLT3 (0.46) JAK2JAK1FLT3ALDH1A1LMNA
SCHEMBL7368426 0.78 NPC1 (0.54) FLT3CDK2
SCHEMBL7370817 0.77 HTT (0.51) FLT3ALDH1A1LMNA
SCHEMBL7365352 0.76 KMT2A (0.50) ALDH1A1LMNA

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 3 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-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed