SCHEMBL21077155

SCHEMBL21077155

CC(C)(C(=O)Nc1ncc(-c2cncc(C#N)n2)cc1F)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 16/20 0.43
▸ CTPS2 Q9NRF8 4/20 0.43
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ BRAF P15056 1/20 0.31

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
SCHEMBL21076892 0.89 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077061 0.88 CTPS1 (0.43) CTPS1CTPS2CYP11B1CYP11B2
SCHEMBL21077104 0.86 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21076971 0.85 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21044372 0.84 CTPS1 (0.62) CTPS1CTPS2
SCHEMBL21077070 0.84 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21076927 0.82 CTPS1 (0.44) CTPS1CYP11B1CYP11B2
SCHEMBL21077003 0.82 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21076901 0.77 CTPS1 (0.45) CTPS1CTPS2
SCHEMBL21076919 0.77 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