SCHEMBL24285877

SCHEMBL24285877

CCc1cc(C(F)(F)CO)ncc1C#N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.38
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.33
LRRK2 Q5S007 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FGFR4 P22455 1/20 0.31
CDK1 P06493 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 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
SCHEMBL8081930 0.73 MAPK1 (0.38) ARCNR2MAPK1LRRK2ALDH1A1
SCHEMBL7213409 0.71 MAPK1 (0.39) ARCNR2MAPK1FGFR4KDM4E
SCHEMBL15434726 0.69 NOS3 (0.52) ARMAPK1ALDH1A1KDM4E
SCHEMBL23586637 0.69 MAPK1 (0.38) ARCNR2MAPK1ALDH1A1FGFR4
SCHEMBL2202379 0.69 MAPK1 (0.38) ARCNR2MAPK1ALDH1A1FGFR4
SCHEMBL24146608 0.69 AR (0.38) ARTRPV4
SCHEMBL18443001 0.68 CHEK1 (0.34)
SCHEMBL18443352 0.67 HSD11B1 (0.38) ALDH1A1KDM4ETRPV4
SCHEMBL16670856 0.67 CNR2 (0.49) ARCNR2LRRK2FGFR4KDM4E
SCHEMBL20271484 0.65 EGLN2 (0.35) LRRK2ALDH1A1KDM4E

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-3555106-B1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2022-03-09 EP disclosed