SCHEMBL8054568

SCHEMBL8054568

CC(C)(NC(=O)C(F)(F)F)c1ncc2sccn12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 17/20 0.35
KDM4E B2RXH2 1/20 0.33
SSTR1 P30872 2/20 0.33
CHEK1 O14757 1/20 0.31
LIMK1 P53667 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31

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
SCHEMBL8059251 0.75 KDM4E (0.31) KDM4E
SCHEMBL8041485 0.73 SSTR4 (0.33) SSTR4KDM4ECHEK1LIMK1DYRK1A
SCHEMBL8053799 0.73 SSTR4 (0.33) SSTR4KDM4ECHEK1LIMK1DYRK1A
SCHEMBL8041507 0.72 KDM4E (0.36) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL8059116 0.71 ELANE (0.33) KDM4E
SCHEMBL9229660 0.70 SMN1; SMN2 (0.37) KDM4E
SCHEMBL8041520 0.66 KDM4E (0.30) KDM4E
SCHEMBL9230640 0.66 KDM4E (0.33) KDM4E
SCHEMBL8052959 0.65 MAPT (0.33) KDM4ECHEK1LIMK1DYRK1ACLK4
SCHEMBL7632455 0.61 DYRK1A (0.39) KDM4ECHEK1LIMK1DYRK1ACLK4

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-0669336-B1 NOVEL CEPHEM DERIVATIVES MEIJI SEIKA CO (JP) 2000-05-17 EP disclosed
US-5663162-A BACTERICIDES AND ANTIBIOTICS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
EP-0669336-A1 NOVEL CEPHEM DERIVATIVE MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-08-30 EP disclosed