SCHEMBL21077203

SCHEMBL21077203

CC(C)(C(=O)Nc1ccc(-c2cncnc2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 17/20 0.51
▸ CTPS2 Q9NRF8 4/20 0.51
▸ WNT3A P56704 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ ATAD2 Q6PL18 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
SCHEMBL21077093 0.91 CTPS1 (0.55) CTPS1CTPS2WNT3AABL1
SCHEMBL21076941 0.89 CTPS1 (0.50) CTPS1CTPS2
SCHEMBL21076932 0.89 CTPS1 (0.52) CTPS1CTPS2ABL1
SCHEMBL21077114 0.88 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077063 0.88 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21077151 0.87 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21077238 0.86 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21077165 0.86 CTPS1 (0.47) CTPS1CTPS2WNT3A
SCHEMBL21077153 0.85 CTPS1 (0.46) CTPS1CTPS2ABL1
SCHEMBL21077163 0.85 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
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