SCHEMBL29692152

SCHEMBL29692152

COC(=O)c1cnc2c(c1)nc(N)n2CCCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.46
▸ STING1 Q86WV6 10/20 0.43
▸ CSNK1D P48730 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ STK17B O94768 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL30163694 0.82 STING1 (0.55) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL24845338 0.82 STING1 (0.55) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL30163788 0.80 BRD4 (0.58) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL24845833 0.80 BRD4 (0.58) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL29692247 0.79 STING1 (0.52) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL22135028 0.76 STING1 (0.64) STING1CYP3A4
SCHEMBL21630047 0.75 KDM4E (0.41) STING1CYP2C9CYP2C19
SCHEMBL21616395 0.74 STING1 (0.47) BRD4STING1CSNK1DCYP3A4CYP2D6
SCHEMBL19448947 0.73 STING1 (0.66) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL29867887 0.73 STING1 (0.66) BRD4STING1CYP3A4CYP2D6CYP2C9

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-112279835-B Aromatic ring or aromatic heterocyclic imidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2022-07-22 — — CN disclosed
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