SCHEMBL21158101

SCHEMBL21158101

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCC3COC3)c2n1C/C=C/Cn1c(NC(O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC)c21

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.67
CYP3A4 P08684 1/20 0.60

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
SCHEMBL21157497 0.93 STING1 (0.76) STING1CYP3A4
SCHEMBL21158102 0.91 STING1 (0.71) STING1CYP3A4
SCHEMBL23346482 0.88 STING1 (0.86) STING1CYP3A4
SCHEMBL21156990 0.88 STING1 (0.72) STING1CYP3A4
SCHEMBL21156986 0.87 STING1 (0.81) STING1CYP3A4
SCHEMBL21156970 0.86 STING1 (0.67) STING1CYP3A4
SCHEMBL21156954 0.86 STING1 (0.66) STING1CYP3A4
SCHEMBL21156957 0.86 STING1 (0.66) STING1CYP3A4
SCHEMBL21157501 0.86 STING1 (0.66) STING1CYP3A4
SCHEMBL24467544 0.85 STING1 (0.81) STING1CYP3A4

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-2019134705-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed