SCHEMBL21077115

SCHEMBL21077115

CCC(C(=O)Nc1ccc(-c2cncc(F)c2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 11/20 0.46
▸ ABL1 P00519 1/20 0.39
▸ DYRK1A Q13627 6/20 0.37
▸ GSK3B P49841 5/20 0.37
▸ NPY5R Q15761 1/20 0.35
▸ 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
SCHEMBL21077048 0.90 CTPS1 (0.43) CTPS1ABL1
SCHEMBL21077055 0.89 CTPS1 (0.47) CTPS1ABL1
SCHEMBL21076910 0.88 CTPS1 (0.47) CTPS1ABL1DYRK1AGSK3B
SCHEMBL21077143 0.84 CTPS1 (0.44) CTPS1
SCHEMBL21077119 0.84 CTPS1 (0.48) CTPS1
SCHEMBL21044430 0.84 CTPS1 (0.60) CTPS1
SCHEMBL31152529 0.84 CTPS1 (0.60) CTPS1
SCHEMBL21077243 0.83 CTPS1 (0.42) CTPS1DYRK1AGSK3BRORC
SCHEMBL21077107 0.80 CTPS1 (0.54) CTPS1
SCHEMBL21076932 0.80 CTPS1 (0.52) CTPS1ABL1DYRK1AGSK3B

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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