SCHEMBL19967774

SCHEMBL19967774

N#Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2oc3ccc(-n4c5ccc(C#N)cc5c5cc(C(F)(F)F)ccc54)cc3c2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.37
KIF11 P52732 1/20 0.37
CSNK1D P48730 1/20 0.35
CSNK1G2 P78368 1/20 0.35
USP14 P54578 1/20 0.33
DDR1 Q08345 2/20 0.33
PIM1 P11309 3/20 0.32
ELANE P08246 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP19A1 P11511 2/20 0.32

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
SCHEMBL19961408 0.93 KIF11 (0.37) TDO2KIF11CSNK1DCSNK1G2USP14
SCHEMBL19967822 0.89 PTPN5 (0.38) TDO2KIF11ELANEDGAT1SOAT1
SCHEMBL18713435 0.88 USP14 (0.39) USP14PIM1HRH4
SCHEMBL17705069 0.88 USP14 (0.39) USP14PIM1HRH4
SCHEMBL17115476 0.84 CSNK1D (0.39) KIF11CSNK1DCSNK1G2USP14
SCHEMBL18713446 0.83 PGR (0.40) USP14
SCHEMBL17115470 0.82 KDM4E (0.38) USP14
SCHEMBL17102413 0.82 KDM4E (0.38) USP14
SCHEMBL17706355 0.82 KDM4E (0.38) USP14
SCHEMBL18010697 0.82 KDM4E (0.38) USP14

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
US-20180072945-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE AND LIGHTING DEVICE MERCK PATENT GMBH (DE) 2018-03-15 US disclosed