SCHEMBL7367977

SCHEMBL7367977

CC(C)(C)OC(=O)c1n[nH]c2cc(NC(=O)c3ccccc3N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.46
JAK1 P23458 4/20 0.46
FLT3 P36888 5/20 0.45
MAP4K1 Q92918 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
CDK2 P24941 1/20 0.43
FADS1 O60427 2/20 0.42
PTGS1 P23219 2/20 0.42
GRM4 Q14833 1/20 0.42
KDM4E B2RXH2 1/20 0.42
STAT3 P40763 1/20 0.42
HIF1A Q16665 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
NAMPT P43490 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX1 P51575 1/20 0.41

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
SCHEMBL7366495 0.89 FLT3 (0.45) JAK2JAK1FLT3MAP4K1ALDH1A1
SCHEMBL7366169 0.87 FLT3 (0.43) JAK2JAK1FLT3MAP4K1ALDH1A1
SCHEMBL7368010 0.85 FLT3 (0.46) JAK2JAK1FLT3MAP4K1ALDH1A1
SCHEMBL7370817 0.84 HTT (0.51) FLT3ALDH1A1LMNARAB9AP2RX1
SCHEMBL7365502 0.84 JAK2 (0.41) JAK2JAK1FLT3MAP4K1ALDH1A1
SCHEMBL7373717 0.83 NR1H4 (0.57) FLT3
SCHEMBL7368426 0.81 NPC1 (0.54) FLT3CDK2NPC1RAB9A
SCHEMBL7371977 0.81 NR1H4 (0.46) FLT3NAMPT
SCHEMBL7371218 0.80 MEN1 (0.53) FLT3MAP4K1ALDH1A1LMNARAB9A
SCHEMBL7367473 0.80 SMN1; SMN2 (0.46) FLT3ALDH1A1LMNACDK2NTRK1

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