SCHEMBL6609237

SCHEMBL6609237

CCOc1cnc(C(C#N)=Cc2c(Cl)cncc2Cl)cc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PDE4B Q07343 14/20 0.40
PDE4D Q08499 13/20 0.40
PDE4A P27815 12/20 0.40
PDE4C Q08493 12/20 0.40
CHEK1 O14757 1/20 0.35
RPS6KA3 P51812 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE3A Q14432 1/20 0.32
PDE7A Q13946 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6609229 1.00 POLB (0.40) POLBPDE4BPDE4DPDE4APDE4C
SCHEMBL6609416 0.90 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6609414 0.90 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6610689 0.81 CHEK1 (0.36) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6610555 0.81 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL6610551 0.81 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL6606617 0.80 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL6606614 0.80 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL6609466 0.78 PDE4D (0.41) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6609471 0.78 PDE4D (0.41) PDE4BPDE4DPDE4APDE4CCHEK1

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