SCHEMBL6609813

SCHEMBL6609813

COc1ccc(C(C#N)=Cc2cccnc2)nc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 1/20 0.52
DYRK1A Q13627 6/20 0.50
KIF20A O95235 5/20 0.50
CLK1 P49759 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
RECQL P46063 1/20 0.47
HIF1A Q16665 1/20 0.47
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL6609810 1.00 KDM4E (0.52) KDM4ENPC1RAB9APOLBDYRK1A
SCHEMBL6606089 0.88 MAPT (0.39) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6606084 0.88 MAPT (0.39) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6605947 0.83 KDM4E (0.53) KDM4ENPC1RAB9APOLBDYRK1A
SCHEMBL6605953 0.83 KDM4E (0.53) KDM4ENPC1RAB9APOLBDYRK1A
SCHEMBL6605938 0.83 FFAR4 (0.36) KDM4ENPC1RAB9APOLBDYRK1A
SCHEMBL6605936 0.83 FFAR4 (0.36) KDM4ENPC1RAB9APOLBDYRK1A
SCHEMBL6611085 0.81 PDE4D (0.43) PDE4D
SCHEMBL6611092 0.81 PDE4D (0.43) PDE4D
SCHEMBL6605193 0.81 PDE4D (0.51) KDM4EPOLBSMN1; SMN2RECQLHIF1A

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
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed