SCHEMBL21077212

SCHEMBL21077212

Cc1cc(NC(=O)C(C)(C)c2csc(N[S+]([O-])C3CC3)n2)ccc1-c1cncc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 10/20 0.44
▸ CTPS2 Q9NRF8 4/20 0.42
▸ ABL1 P00519 5/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL21077179 0.87 CTPS1 (0.41) CTPS1CTPS2PIK3CGPOLQ
SCHEMBL21076901 0.84 CTPS1 (0.45) CTPS1CTPS2PIK3CG
SCHEMBL30528944 0.84 CTPS1 (0.61) CTPS1CTPS2
SCHEMBL21044593 0.84 CTPS1 (0.61) CTPS1CTPS2
SCHEMBL21077151 0.84 CTPS1 (0.48) CTPS1CTPS2PIK3CG
SCHEMBL21076967 0.83 CTPS1 (0.56) CTPS1CTPS2PIK3CG
SCHEMBL21077040 0.82 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077061 0.82 CTPS1 (0.43) CTPS1CTPS2ABL1PIK3CG
SCHEMBL21076872 0.81 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21076971 0.80 CTPS1 (0.46) 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
Send feedback