SCHEMBL17337221

SCHEMBL17337221

CCNC(=O)c1c(C)c(Cl)cc(CCN)c1-c1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.35
PDE4A P27815 3/20 0.31
PDE4B Q07343 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 2/20 0.31
TSHR P16473 1/20 0.31
CNR2 P34972 1/20 0.31
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RORC P51449 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
SCHEMBL17337242 0.90 PRKCZ (0.34) PRKCZTSHRCNR2
SCHEMBL9953131 0.84 TAAR1 (0.31) RORC
SCHEMBL14742439 0.83 TSHR (0.32) PRKCZTSHR
SCHEMBL17332912 0.80 PRKCZ (0.35) PRKCZCNR2
SCHEMBL23065012 0.79 PRKCZ (0.34) PRKCZPDE4APDE4BPDE4CPDE4D
SCHEMBL31711310 0.78 PRKCZ (0.34) PRKCZCNR2
SCHEMBL14736579 0.78 PRKCZ (0.34) PRKCZCNR2
SCHEMBL23074517 0.76 PRKCZ (0.32) PRKCZTSHRCNR2
SCHEMBL9953794 0.74 TAAR1 (0.40)
SCHEMBL14742339 0.73 DHODH (0.33) CNR2

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-2015191677-A1 BICYCLIC HETEROARYLAMINOALKYL PHENYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2015-12-17 WO disclosed