SCHEMBL8554705

SCHEMBL8554705

COc1ncc(C(=O)Nc2cc(F)nc(F)c2)cc1OC1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.43
GRM5 P41594 2/20 0.42
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42
PDE4D Q08499 9/20 0.42
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
ABL1 P00519 2/20 0.42
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
HPGDS O60760 1/20 0.41
GPR6 P46095 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
SCHEMBL7357686 0.89 GRM5 (0.42) GRM4GRM5EGFRITKPDE4D
SCHEMBL7356931 0.84 PDE4D (0.44) GRM4GRM5PDE4DPDE4APDE4B
SCHEMBL7358483 0.82 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL7359762 0.82 PDE4D (0.56) PDE4DPDE4APDE4BPDE4C
SCHEMBL7362112 0.81 PDE4D (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL7352793 0.80 BRD4 (0.42) GRM4GRM5PDE4DPDE4APDE4B
SCHEMBL7363509 0.72 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL7357750 0.72 LMNA (0.68) PDE4DPDE4APDE4BPDE4C
SCHEMBL7359057 0.71 KMT2A (0.65) PDE4DPDE4APDE4BPDE4C
SCHEMBL7361091 0.71 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C

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-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP claimed