SCHEMBL11520381

SCHEMBL11520381

CCS(=O)(=O)c1cccc(-c2cnc(NC(=O)NC(=O)c3c(C(F)(F)F)cccc3C(F)(F)F)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.45
NR1H3 Q13133 10/20 0.45
RORC P51449 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
FLT4 P35916 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
LIMK1 P53667 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CDK5 Q00535 1/20 0.36
STK3 Q13188 1/20 0.36
DYRK1A Q13627 1/20 0.36
BRSK1 Q8TDC3 1/20 0.36

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
SCHEMBL11524433 0.75 MEN1 (0.45) RORC
SCHEMBL11524635 0.73 TYK2 (0.43) RORCGSK3AGSK3BDYRK3PRKD3
SCHEMBL11524371 0.71 MAPT (0.45)
SCHEMBL11521954 0.70 TYK2 (0.44) RORCATRABL1
SCHEMBL11524406 0.69 ACVR1 (0.45) RORCGSK3AGSK3BCLK4ABL1
SCHEMBL11604630 0.69 RAB9A (0.48)
SCHEMBL11521631 0.69 WNT3A (0.45) ATM
SCHEMBL11521003 0.69 KMO (0.45) ABL1
SCHEMBL11521969 0.68 JAK2 (0.42)
SCHEMBL11376439 0.67 RORB (0.51) RORC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed