SCHEMBL4592030

SCHEMBL4592030

Cc1nc(-c2ccc(C(F)F)cc2C#N)[nH]c1CN(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.33
LRRK2 Q5S007 1/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
LIMK1 P53667 1/20 0.31
LIMK2 P53671 1/20 0.31
XDH P47989 1/20 0.30
POLB P06746 1/20 0.30
AR P10275 1/20 0.30
CSF1R P07333 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL4591152 0.86 NMT1 (0.43) NMT1LRRK2
SCHEMBL4591433 0.84 POLB (0.35) NMT1LRRK2POLB
SCHEMBL4591714 0.82 KDM4E (0.39) LRRK2XDH
SCHEMBL4592213 0.82 PTGES (0.42) NMT1LRRK2POLB
SCHEMBL4591409 0.82 LRRK2 (0.34) NMT1LRRK2POLB
SCHEMBL4590930 0.82 ALOX5AP (0.40) NMT1LRRK2XDH
SCHEMBL4591465 0.81 KDM4E (0.40) XDH
SCHEMBL4591626 0.80 PTGES (0.41) NMT1LRRK2POLB
SCHEMBL4591509 0.79 XDH (0.40) XDH
SCHEMBL5181453 0.78 VCAM1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed