SCHEMBL21789703

SCHEMBL21789703

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(O)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.52
TBK1 Q9UHD2 1/20 0.52
ENPP1 P22413 1/20 0.46

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
SCHEMBL29675240 0.87 STING1 (0.63) STING1ENPP1
SCHEMBL25831201 0.87 STING1 (0.63) STING1ENPP1
Hydrochloric Acid SCHEMBL31066892 0.87 STING1 (0.62) STING1ENPP1
SCHEMBL29899007 0.84 STING1 (0.65) STING1
SCHEMBL21789649 0.83 ENPP1 (0.47) STING1TBK1ENPP1
SCHEMBL29626030 0.83 STING1 (0.60) STING1TBK1ENPP1
SCHEMBL28720810 0.83 STING1 (0.60) STING1TBK1ENPP1
SCHEMBL29686555 0.83 STING1 (0.53) STING1TBK1
SCHEMBL30803059 0.82 STING1 (0.57) STING1ENPP1
SCHEMBL30084070 0.81 STING1 (0.58) STING1TBK1ENPP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848366-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-07-14 EP disclosed
WO-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 WO disclosed