SCHEMBL21077170

SCHEMBL21077170

Cc1cc(NC(=O)C(C)(C)c2csc(NSC3CC3)n2)ccc1-c1cncc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 15/20 0.45
▸ CTPS2 Q9NRF8 4/20 0.45
▸ ABL1 P00519 1/20 0.36
▸ PTGES O14684 2/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ EIF4E P06730 1/20 0.34
▸ BRAF P15056 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
SCHEMBL21077029 0.85 CTPS1 (0.41) CTPS1CTPS2ABL1
SCHEMBL30528735 0.85 CTPS1 (0.64) CTPS1CTPS2
SCHEMBL21044189 0.85 CTPS1 (0.64) CTPS1CTPS2
SCHEMBL21077123 0.81 CTPS1 (0.43) CTPS1CTPS2
SCHEMBL21077121 0.79 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL22762521 0.78 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077116 0.78 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077025 0.76 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21076824 0.76 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21077197 0.76 CTPS1 (0.58) 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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