SCHEMBL22561885

SCHEMBL22561885

C=N/C=C(\C=C(/C)C#N)c1cc(C)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRB2 P47870 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 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
SCHEMBL22561935 0.84
SCHEMBL22562067 0.81 CYP2D6 (0.40) CYP2D6
SCHEMBL22562006 0.78
SCHEMBL18432558 0.71 MEN1 (0.36) MEN1KMT2ACYP2D6
SCHEMBL22561910 0.71
SCHEMBL22561897 0.69
SCHEMBL20009402 0.67 MEN1 (0.32) MEN1KMT2ACYP2D6
SCHEMBL25886732 0.65 MEN1 (0.40) GABRA1GABRG2GABRB3GABRB2MEN1
SCHEMBL21022125 0.64 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRB2
SCHEMBL19370572 0.64 TDP1 (0.32)

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-3191467-B1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NOVARTIS AG (CH) 2020-10-21 EP disclosed