SCHEMBL30885396

SCHEMBL30885396

O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1c[nH]c2ccc(-c3cccc(CO)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.46
▸ KIF11 P52732 1/20 0.40
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ MET P08581 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL23207913 0.88 STING1 (0.62) STING1PLK4AURKAROCK2NTRK1
SCHEMBL30195943 0.88 STING1 (0.62) STING1PLK4AURKAROCK2NTRK1
SCHEMBL30885407 0.85 STING1 (0.46) STING1KIF11NTRK1TRPV1
SCHEMBL23207670 0.83 STING1 (0.48) STING1KIF11PLK4AURKAROCK2
SCHEMBL23207669 0.81 STING1 (0.48) STING1PLK4LYNTRPV1
SCHEMBL23208029 0.80 STING1 (0.60) STING1PLK4AURKAROCK2NTRK1
SCHEMBL30195946 0.80 STING1 (0.60) STING1PLK4AURKAROCK2NTRK1
SCHEMBL30885386 0.80 STING1 (0.58) STING1KIF11TRPV1
SCHEMBL23207674 0.80 STING1 (0.44) STING1PLK4AURKAROCK2NTRK1
SCHEMBL30885376 0.80 STING1 (0.46) STING1KIF11DYRK1ATRPV1

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
CN-117756698-A Urea compound and medical application thereof as STING inhibitor 中国药科大学 2024-03-26 — — CN disclosed
Send feedback