SCHEMBL23639626

SCHEMBL23639626

CCc1ccc(C(C)(C)c2[nH]c3cc(C#N)ccc3c2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
GABRA1 P14867 6/20 0.37
GABRG2 P18507 6/20 0.37
GABRB3 P28472 6/20 0.37
GABRA3 P34903 6/20 0.37
GABRA2 P47869 6/20 0.37
CYP2A6 P11509 1/20 0.36
GABRA5 P31644 4/20 0.36
GABRA6 Q16445 4/20 0.36
GABRA4 P48169 3/20 0.35
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G2 P78368 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
ALK Q9UM73 2/20 0.34
CSF1R P07333 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL24676748 0.89 L3MBTL1 (0.37) L3MBTL1GABRA1GABRG2GABRB3GABRA3
SCHEMBL23639678 0.89 L3MBTL1 (0.41) L3MBTL1CYP2A6CSNK1A1CSNK1DGSK3B
SCHEMBL898346 0.88 L3MBTL1 (0.36) L3MBTL1GABRA1GABRG2GABRB3GABRA3
SCHEMBL31540875 0.88 L3MBTL1 (0.36) L3MBTL1GABRA1GABRG2GABRB3GABRA3
SCHEMBL31507391 0.83 L3MBTL1 (0.37) L3MBTL1GABRA1GABRG2GABRB3GABRA3
SCHEMBL31540879 0.82 CDK2 (0.32) L3MBTL1GABRA1GABRG2GABRB3GABRA3
SCHEMBL24676630 0.80 L3MBTL1 (0.38) L3MBTL1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL898010 0.79 L3MBTL1 (0.36) L3MBTL1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL28351222 0.78 L3MBTL1 (0.36) L3MBTL1GABRA1GABRG2GABRB3GABRA3
SCHEMBL18056817 0.77 ALK (0.52) CSNK1G2ALKKIT

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
EP-3848361-A1 METHOD OF PRODUCING TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-07-14 EP disclosed