SCHEMBL20121338

SCHEMBL20121338

CC(C)n1nc(C#N)c(C#N)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.33
MAPT P10636 1/20 0.31
AGTR1 P30556 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL5557928 0.84 MAPT (0.31) MAPTAGTR1
SCHEMBL21503630 0.84
SCHEMBL4415230 0.67 F2 (0.32)
SCHEMBL693256 0.64 MTOR (0.32) MAPTAGTR1
SCHEMBL15703081 0.64 ADORA2A (0.31)
SCHEMBL5276629 0.64 MAPT (0.30) MAPTAGTR1
SCHEMBL12616367 0.63 TOP2A (0.37) TOP2A
SCHEMBL15723770 0.63 KDM5A (0.34)
SCHEMBL15703085 0.63 KDM5A (0.33)
SCHEMBL15652724 0.63 ADORA2A (0.37)

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
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
US-9964914-B2 Electrophotographic member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2018-05-08 US disclosed