SCHEMBL30690136

SCHEMBL30690136

CNc1cc2onc(C)c2cc1N

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.43
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL1026164 0.78 BRD4 (0.47) BRD4CHRNB2CHRNA4
SCHEMBL17307557 0.75 BRD4 (0.41) BRD4CHRNB2CHRNA4
SCHEMBL30619654 0.75 CHRNB2 (0.41) BRD4CHRNB2CHRNA4
SCHEMBL6850450 0.75 CHRNB2 (0.41) BRD4CHRNB2CHRNA4
SCHEMBL29133012 0.75 CHRNB2 (0.41) BRD4CHRNB2CHRNA4
SCHEMBL1028127 0.74 BRD4 (0.44) BRD4CHRNB2CHRNA4
SCHEMBL30690118 0.73 BRD4 (0.45) BRD4
SCHEMBL26688298 0.72 BRD4 (0.46) BRD4CHRNB2CHRNA4
SCHEMBL30622064 0.72 BRD4 (0.46) BRD4CHRNB2CHRNA4
SCHEMBL12547903 0.71 CHRNB2 (0.41) BRD4CHRNB2CHRNA4

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-117304205-A Benzimidazole ternary fused ring compound, pharmaceutically acceptable salt thereof and application thereof 中国科学院广州生物医药与健康研究院 2023-12-29 CN disclosed