SCHEMBL21076955

SCHEMBL21076955

CCOc1cc(NC(=O)C(C)(C)c2csc(NSC3CC3)n2)ccc1-c1cncc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 13/20 0.47
▸ CTPS2 Q9NRF8 3/20 0.43
▸ ABL1 P00519 6/20 0.38

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
SCHEMBL21044103 0.87 CTPS1 (0.60) CTPS1CTPS2
SCHEMBL30529045 0.87 CTPS1 (0.60) CTPS1CTPS2
SCHEMBL21076854 0.82 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21077197 0.81 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077073 0.79 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21077170 0.77 CTPS1 (0.45) CTPS1CTPS2ABL1
SCHEMBL21077016 0.76 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL22491709 0.76 CTPS1 (0.60) CTPS1CTPS2
SCHEMBL30528865 0.76 CTPS1 (0.60) CTPS1CTPS2
SCHEMBL21044593 0.75 CTPS1 (0.61) 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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