SCHEMBL21076883

SCHEMBL21076883

CCC[S+]([O-])Nc1nc(C(C)(C)C(=O)Nc2ccc(-c3cncc(C#N)c3)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 16/20 0.48
▸ CTPS2 Q9NRF8 2/20 0.44
▸ PIK3CG P48736 1/20 0.39
▸ ABL1 P00519 2/20 0.37
▸ RORC P51449 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
SCHEMBL22491687 0.83 CTPS1 (0.57) CTPS1CTPS2PIK3CG
SCHEMBL21044518 0.78 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21077212 0.77 CTPS1 (0.44) CTPS1CTPS2PIK3CGABL1
SCHEMBL21077151 0.76 CTPS1 (0.48) CTPS1CTPS2PIK3CG
SCHEMBL21077040 0.75 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21076967 0.74 CTPS1 (0.56) CTPS1CTPS2PIK3CG
SCHEMBL21076901 0.74 CTPS1 (0.45) CTPS1CTPS2PIK3CG
SCHEMBL21077176 0.73 CTPS1 (0.61) CTPS1CTPS2ABL1RORC
SCHEMBL21076872 0.73 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21077076 0.71 CTPS1 (0.65) CTPS1CTPS2RORC

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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