SCHEMBL8817619

SCHEMBL8817619

COc1cc(-c2nc3c(Cc4ccccc4C(F)(F)F)cc(OCCN(C)C)cc3[nH]2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ UTS2R Q9UKP6 1/20 0.40
▸ DYRK3 O43781 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ BRSK1 Q8TDC3 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ MAP4K5 Q9Y4K4 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 2/20 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
SCHEMBL8079646 0.96 BRD4 (0.39) ACHEBRD4UTS2RDYRK3MAP4K4
SCHEMBL8817603 0.91 ACHE (0.42) ACHEBRD4UTS2RPARP1POLB
SCHEMBL8818631 0.87 ACHE (0.42) ACHEUTS2RDYRK3MAP4K4PIM1
SCHEMBL8814922 0.87 BRD4 (0.39) BRD4PARP1POLBMAPTTP53
SCHEMBL8816611 0.86 ACHE (0.44) ACHEDYRK3MAP4K4PIM1RPS6KB1
SCHEMBL8892025 0.85 ACHE (0.42) ACHEBRD4PARP1MEN1KMT2A
SCHEMBL8891808 0.85 ACHE (0.43) ACHEBRD4PARP1MEN1KMT2A
SCHEMBL8891268 0.85 ACHE (0.43) ACHEBRD4PARP1MEN1KMT2A
SCHEMBL8816922 0.85 ACHE (0.43) ACHEUTS2RDYRK3MAP4K4PIM1
SCHEMBL8818545 0.85 DYRK3 (0.45) ACHEUTS2RDYRK3MAP4K4PIM1

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
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO claimed
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 — — WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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