SCHEMBL13069003

SCHEMBL13069003

C=Cc1ccc2ncc(C#N)c(OC(C)C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.37
FGFR4 P22455 4/20 0.36
LRRK2 Q5S007 1/20 0.33
XDH P47989 2/20 0.31
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
SCHEMBL3372831 0.88 FGFR4 (0.46) SRCFGFR4LRRK2XDH
SCHEMBL3372252 0.82 SRC (0.40) SRCLRRK2XDHCYP11B1CYP11B2
SCHEMBL3373015 0.76 CHEK1 (0.38) LRRK2
SCHEMBL3373013 0.76 CHEK1 (0.38) LRRK2
SCHEMBL13068861 0.76 CHEK1 (0.38) LRRK2
SCHEMBL27668260 0.69 LRRK2 (0.57) SRCLRRK2XDH
SCHEMBL13955657 0.68 SRC (0.44) SRCLRRK2XDHCYP11B1CYP11B2
SCHEMBL13955599 0.68 SRC (0.42) SRCFGFR4LRRK2XDH
SCHEMBL16800086 0.65 IMPDH2 (0.33) CYP11B1CYP11B2
SCHEMBL3272833 0.65 CSF1R (0.38) SRC

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-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP disclosed