SCHEMBL19785768

SCHEMBL19785768

N#Cc1c(Cl)cccc1NC(=O)c1cc(CNCCO)c[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 9/20 0.43
CD274 Q9NZQ7 9/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
UPP1 Q16831 1/20 0.36
KDR P35968 3/20 0.36
MT-CO2 P00403 1/20 0.35
MET P08581 1/20 0.34
CFTR P13569 1/20 0.34

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
SCHEMBL19785996 0.88 CD274 (0.49) PDCD1CD274KDRMETCFTR
SCHEMBL19785493 0.83 PDCD1 (0.52) PDCD1CD274TAS1R3TAS1R1TAS1R2
SCHEMBL19779550 0.81 PDCD1 (0.47) PDCD1CD274TAS1R3TAS1R1TAS1R2
SCHEMBL19785829 0.80 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2KMT2AKDR
SCHEMBL19785982 0.79 KDR (0.55) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL19785839 0.79 PDCD1 (0.66) PDCD1CD274KDR
SCHEMBL19785841 0.77 PDCD1 (0.46) PDCD1CD274KDR
SCHEMBL19785950 0.77 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL19785961 0.70 CD274 (0.51) PDCD1CD274
SCHEMBL396661 0.70 CFTR (0.63) MEN1KMT2ACFTR

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-2018013789-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-01-18 WO disclosed