SCHEMBL21789649

SCHEMBL21789649

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.47
STING1 Q86WV6 14/20 0.39
TBK1 Q9UHD2 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL21789703 0.83 STING1 (0.52) ENPP1STING1TBK1
SCHEMBL22150032 0.76 RAB9A (0.57) NPC1RAB9AIRAK4
SCHEMBL29791276 0.74 STING1 (0.52) ENPP1STING1
SCHEMBL31066898 0.74 STING1 (0.52) ENPP1STING1
SCHEMBL25831201 0.73 STING1 (0.63) ENPP1STING1
SCHEMBL29675240 0.73 STING1 (0.63) ENPP1STING1
Hydrochloric Acid SCHEMBL31066892 0.72 STING1 (0.62) ENPP1STING1
SCHEMBL28720810 0.72 STING1 (0.60) ENPP1STING1TBK1
SCHEMBL30084070 0.72 STING1 (0.58) ENPP1STING1TBK1
SCHEMBL29626030 0.72 STING1 (0.60) ENPP1STING1TBK1

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-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