SCHEMBL22857886

SCHEMBL22857886

CCCn1c(N)nc2cc(C(N)=O)cc(OCCNC(=O)OC(C)(C)C)c21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 18/20 0.55
▸ CYP3A4 P08684 2/20 0.52
▸ ATM Q13315 2/20 0.42
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL22857865 0.97 STING1 (0.58) STING1CYP3A4ATMCYP2D6CYP2C9
SCHEMBL22857820 0.85 STING1 (0.59) STING1CYP3A4
SCHEMBL22121402 0.84 STING1 (0.54) STING1
SCHEMBL25098724 0.83 STING1 (0.68) STING1CYP3A4ATM
SCHEMBL30207029 0.83 STING1 (0.59) STING1CYP3A4ATM
SCHEMBL25098917 0.83 STING1 (0.59) STING1CYP3A4ATM
SCHEMBL30206995 0.83 STING1 (0.68) STING1CYP3A4ATM
SCHEMBL22135028 0.83 STING1 (0.64) STING1CYP3A4
SCHEMBL19437497 0.82 STING1 (0.68) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21628338 0.81 STING1 (0.46) STING1

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-2021000770-A1 HETEROCYCLIC COMPOUND CAPABLE OF ENHANCING IMMUNE ACTIVITY, PREPARATION METHOD THEREFOR AND APPLICATION IN MEDICINE 凯复制药有限公司 2021-01-07 — — WO disclosed
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