SCHEMBL2575500

SCHEMBL2575500

Cc1c(Cc2ccc(-n3ccnc3C(C)C)cc2)c(OC(F)F)nc2c(Cl)ccc(O)c12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
MBOAT4 Q96T53 1/20 0.30

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
SCHEMBL2572975 0.91 PTGDR2 (0.38) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL2570608 0.90 KCNH2 (0.36) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL2570741 0.86 PTGDR2 (0.44) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL2570443 0.83 PTGDR2 (0.36) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL2572974 0.80 PTGDR2 (0.38) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL533987 0.80 AR (0.36) MBOAT4
SCHEMBL2579246 0.78 PTGDR2 (0.34) PTGDR2
SCHEMBL2570549 0.78 PTGDR2 (0.53) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL2580577 0.77 TGFBR1 (0.30)
SCHEMBL2579403 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP claimed