SCHEMBL21077159

SCHEMBL21077159

Cc1cc(-c2cncc(Cl)n2)ccc1NC(=O)C(C)(C)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 17/20 0.49
▸ CTPS2 Q9NRF8 3/20 0.49
▸ BRAF P15056 1/20 0.35
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL21077058 0.88 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077157 0.87 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21077238 0.86 CTPS1 (0.56) CTPS1CTPS2BRAF
SCHEMBL21077013 0.85 CTPS1 (0.51) CTPS1CTPS2ABL1
SCHEMBL21077161 0.84 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL30528755 0.83 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL21044570 0.83 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL21077043 0.82 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21077010 0.81 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21076994 0.80 CTPS1 (0.48) CTPS1CTPS2

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
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