SCHEMBL21077201

SCHEMBL21077201

CCC(C(=O)Nc1ccc(-c2cncc(C#N)c2)cn1)c1csc(NSC2CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 10/20 0.48
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
PIK3CG P48736 1/20 0.38
EP300 Q09472 6/20 0.35

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
SCHEMBL21044580 0.86 CTPS1 (0.62) CTPS1
SCHEMBL21077210 0.82 CTPS1 (0.42) CTPS1GSK3BDYRK1APIK3CG
SCHEMBL21076874 0.78 CTPS1 (0.45) CTPS1GSK3BDYRK1APIK3CG
SCHEMBL21077225 0.77 CTPS1 (0.43) CTPS1
SCHEMBL21044260 0.76 CTPS1 (0.73) CTPS1
SCHEMBL22762461 0.76 CTPS1 (0.55) CTPS1
SCHEMBL21077144 0.75 CTPS1 (0.55) CTPS1GSK3BDYRK1APIK3CG
SCHEMBL31152529 0.74 CTPS1 (0.60) CTPS1
SCHEMBL21044430 0.74 CTPS1 (0.60) CTPS1
SCHEMBL30529007 0.73 CTPS1 (0.59) CTPS1

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-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 EP disclosed