SCHEMBL8819001

SCHEMBL8819001

Cc1cccc(-c2nc3c(Cc4ccccc4)cc(OCCCN(C)C)cc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ BRSK1 Q8TDC3 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ HIPK2 Q9H2X6 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44
▸ MAP4K5 Q9Y4K4 1/20 0.44
▸ ACHE P22303 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ LSS P48449 1/20 0.40
▸ DHODH Q02127 2/20 0.40
▸ PPARG P37231 1/20 0.40

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
SCHEMBL8818678 0.95 DYRK3 (0.48) CHEK2DYRK3MAP4K4PIM1RPS6KB1
SCHEMBL8818920 0.89 DHODH (0.42) DHODHPPARGPPARAMGAMGAA
SCHEMBL8077969 0.88 CHEK2 (0.45) CHEK2DYRK3MAP4K4PIM1RPS6KB1
SCHEMBL8816926 0.88 ACHE (0.41) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8082476 0.88 ACHE (0.49) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8891323 0.87 DHODH (0.42) DHODHPPARGPPARAMGAMGAA
SCHEMBL8817561 0.86 PPARG (0.40) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8818531 0.86 CHEK2 (0.41) CHEK2DYRK3MAP4K4PIM1RPS6KB1
SCHEMBL8084229 0.84 DHODH (0.40) DHODHMGAMGAASIMGAM2
SCHEMBL8816877 0.83 HRH1 (0.43) CHEK2DYRK3MAP4K4PIM1RPS6KB1

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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