SCHEMBL20093030

SCHEMBL20093030

Cn1ccc(-c2ccc(Nc3cc(NCC4CC4)nc4c3nc(C(F)F)n4C3CCCCO3)c(P(C)(C)=O)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.41
CD274 Q9NZQ7 1/20 0.33
TTK P33981 5/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL20155861 0.88 TYK2 (0.56) TYK2
SCHEMBL20093029 0.88 TYK2 (0.41) TYK2CD274
SCHEMBL20093026 0.79 TYK2 (0.49) TYK2
SCHEMBL20093037 0.78 TYK2 (0.60) TYK2
SCHEMBL20093176 0.77 TYK2 (0.44) TYK2CD274
SCHEMBL20091777 0.76 TYK2 (0.60) TYK2
SCHEMBL20092064 0.75 TYK2 (0.49) TYK2
SCHEMBL20091770 0.75 TYK2 (0.45) TYK2
SCHEMBL20155835 0.75 TYK2 (0.48) TYK2
SCHEMBL20092311 0.75 TYK2 (0.32) TYK2CD274

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
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO disclosed