SCHEMBL11526201

SCHEMBL11526201

CCCc1ncc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)nc1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.45
JAK2 O60674 4/20 0.45
JAK1 P23458 4/20 0.45
MAPK14 Q16539 2/20 0.40
MAPT P10636 1/20 0.39
GHSR Q92847 1/20 0.39
RAB9A P51151 4/20 0.39
MAPKAPK2 P49137 1/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
GAA P10253 1/20 0.36
PPIA P62937 1/20 0.36
HDAC1 Q13547 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
SCHEMBL11520972 0.85 RAB9A (0.45) TYK2JAK2JAK1MAPTGHSR
SCHEMBL11523355 0.82 TYK2 (0.37) TYK2JAK2JAK1MAPTGHSR
SCHEMBL11525157 0.81 MAPT (0.48) MAPTGHSRRAB9ANPC1MEN1
SCHEMBL11526021 0.80 PLK1 (0.41) TYK2JAK2JAK1RAB9ANPC1
SCHEMBL11523714 0.79 RAB9A (0.43) TYK2JAK2JAK1MAPTGHSR
SCHEMBL11525837 0.78 CNR1 (0.42) TYK2JAK2JAK1MAPTGHSR
SCHEMBL11523661 0.77 MAPT (0.43) TYK2JAK2JAK1MAPTGHSR
SCHEMBL11521741 0.77 GAA (0.42) TYK2JAK2JAK1MAPTGHSR
SCHEMBL11523601 0.77 PPIA (0.43) TYK2JAK2JAK1MAPK14MAPT
SCHEMBL11526310 0.77 DHODH (0.43) MAPTGHSRRAB9ANPC1MEN1

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