SCHEMBL21077016

SCHEMBL21077016

CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NSC4CCC4)n3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 20/20 0.58
CTPS2 Q9NRF8 2/20 0.45

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
SCHEMBL21076875 0.91 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077206 0.85 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21044321 0.85 CTPS1 (0.74) CTPS1CTPS2
SCHEMBL21387739 0.85 CTPS1 (0.74) CTPS1
SCHEMBL21076972 0.84 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL22491737 0.84 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21044357 0.83 CTPS1 (0.74) CTPS1CTPS2
SCHEMBL21077197 0.83 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21076903 0.83 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21387628 0.82 CTPS1 (0.72) 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