SCHEMBL11523355

SCHEMBL11523355

Cc1nc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cnc1Cc1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
GHSR Q92847 1/20 0.37
ITGB1 P05556 9/20 0.36
ITGA4 P13612 5/20 0.36
ITGA5 P08648 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35

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
SCHEMBL11525157 0.88 MAPT (0.48) RAB9ANPC1MAPTGHSRITGB1
SCHEMBL3665409 0.82 MAPT (0.38) TYK2JAK2JAK1RAB9ANPC1
SCHEMBL11526201 0.82 TYK2 (0.45) TYK2JAK2JAK1RAB9ANPC1
SCHEMBL11525111 0.81 ATM (0.39) RAB9ANPC1MAPTITGB1ITGA5
SCHEMBL11520972 0.80 RAB9A (0.45) TYK2JAK2JAK1RAB9ANPC1
SCHEMBL11522082 0.79 TYK2 (0.40) TYK2JAK2JAK1RAB9ANPC1
SCHEMBL11522591 0.77 MAPT (0.39) TYK2JAK2JAK1RAB9AMAPT
SCHEMBL11372439 0.76 ALDH1A1 (0.43) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11523035 0.76 MAPT (0.37) TYK2JAK2JAK1RAB9ANPC1
SCHEMBL11522193 0.75 TYK2 (0.37) TYK2JAK2JAK1RAB9ANPC1

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