SCHEMBL8814784

SCHEMBL8814784

Cc1ccc(-c2nc3c(Cc4ccccc4Br)cc(OCCN(C)C)cc3[nH]2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.45
▸ MAP4K4 O95819 2/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ PIM3 Q86V86 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ STK17A Q9UEE5 2/20 0.44
▸ MAP4K5 Q9Y4K4 2/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ BRSK1 Q8TDC3 1/20 0.44
▸ HIPK2 Q9H2X6 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ TNKS O95271 2/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ BRAF P15056 3/20 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
SCHEMBL8818630 0.95 CHEK2 (0.41) ACHEMAP4K4PIM1PIM3AURKB
SCHEMBL8817108 0.90 ACHE (0.48) ACHEMAP4K4PIM1PIM3AURKB
SCHEMBL8077963 0.89 MAP4K4 (0.49) ACHEMAP4K4PIM1PIM3AURKB
SCHEMBL8075125 0.89 ACHE (0.45) ACHEMAP4K4PIM1PIM3AURKB
SCHEMBL8816922 0.87 ACHE (0.43) ACHEMAP4K4PIM1PIM3AURKB
SCHEMBL8818782 0.86 KDM4E (0.35) ACHEMAP4K4PIM1PIM3AURKB
SCHEMBL8814966 0.85 KDM4E (0.35) ACHEMAP4K4PIM1PIM3AURKB
SCHEMBL8077969 0.85 CHEK2 (0.45) ACHEMAP4K4PIM1PIM3AURKB
SCHEMBL8818796 0.84 CHEK2 (0.40) ACHEMAP4K4PIM1PIM3AURKB
SCHEMBL8818631 0.84 ACHE (0.42) ACHEMAP4K4PIM1PIM3AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO claimed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
Send feedback