SCHEMBL20748939

SCHEMBL20748939

OC1NCC(C(F)(F)F)n2nc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.36
CSNK1E P49674 2/20 0.36
FYN P06241 2/20 0.35
KMO O15229 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
CASP1 P29466 1/20 0.34
TNF P01375 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
TGFBR1 P36897 3/20 0.32
TGFBR2 P37173 3/20 0.32
MAPT P10636 1/20 0.32
ABL1 P00519 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
GRM2 Q14416 1/20 0.31
PLAT P00750 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL16700392 0.78 NISCH (0.35) CSNK1DCSNK1EFYNKMONISCH
SCHEMBL16699604 0.76 PIK3C3 (0.44) CSNK1DCSNK1EFYNKMONISCH
SCHEMBL16722624 0.70 KMO (0.42) CSNK1DCSNK1EFYNKMONISCH
SCHEMBL16700318 0.70 CSNK1E (0.46) CSNK1DCSNK1EFYNKMOCASP1
SCHEMBL16700658 0.63 MAPKAPK2 (0.42) KMONISCHCASP1ERCC1ERCC4
SCHEMBL16699092 0.62 CSNK1E (0.55) CSNK1DCSNK1EKMO
SCHEMBL21759157 0.59 TGFBR1 (0.45) FYNKMONISCHCASP1TGFBR1
SCHEMBL5385913 0.59 GABRP (0.40) KMONISCHCASP1MAPT
SCHEMBL14844945 0.59 NISCH (0.38) KMONISCH
SCHEMBL3395650 0.58 KMO (0.49) FYNKMOCASP1ERCC1ERCC4

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-3068784-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-20 EP disclosed