SCHEMBL19255526

SCHEMBL19255526

Cc1nn(C2CCCCO2)c2c(F)cc(C#N)cc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
GAA P10253 1/20 0.38
RET P07949 2/20 0.36
ATR Q13535 7/20 0.35
LRRK2 Q5S007 1/20 0.31
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
MAPT P10636 1/20 0.30
PDE7A Q13946 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
SCHEMBL19204845 0.86 CYP4F2 (0.36) CYP4F2CYP4A11GAARETATR
SCHEMBL19250505 0.84 CYP4F2 (0.41) CYP4F2CYP4A11GAARETATR
SCHEMBL24012792 0.82 CYP4F2 (0.50) CYP4F2CYP4A11GAARETATR
SCHEMBL19250534 0.82 PDE7A (0.39) ESR1PDE7A
SCHEMBL13812030 0.79 GAA (0.39) CYP4F2CYP4A11GAARETATR
SCHEMBL18371142 0.78 CYP4F2 (0.39) CYP4F2CYP4A11GAARETATR
SCHEMBL19249997 0.77 CYP4F2 (0.44) CYP4F2CYP4A11GAARETATR
SCHEMBL19249525 0.77 ESR1 (0.42) CYP4F2CYP4A11GAARETATR
SCHEMBL18260874 0.75 CYP4F2 (0.34) CYP4F2CYP4A11ATR
SCHEMBL19204872 0.73 CYP4F2 (0.40) CYP4F2CYP4A11GAARETATR

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
WO-2017133670-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed