SCHEMBL21077093

SCHEMBL21077093

CC(C)(C(=O)Nc1ccc(-c2cccnc2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 13/20 0.55
▸ CTPS2 Q9NRF8 2/20 0.55
▸ WNT3A P56704 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ ABCC1 P33527 1/20 0.38

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
SCHEMBL21077203 0.91 CTPS1 (0.51) CTPS1CTPS2WNT3AABL1
SCHEMBL21076941 0.88 CTPS1 (0.50) CTPS1CTPS2
SCHEMBL21076932 0.88 CTPS1 (0.52) CTPS1CTPS2GSK3BDYRK1AABL1
SCHEMBL21077153 0.87 CTPS1 (0.46) CTPS1CTPS2ABL1
SCHEMBL21077207 0.86 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL21077003 0.86 CTPS1 (0.56) CTPS1CTPS2ABCB1
SCHEMBL21076934 0.86 CTPS1 (0.45) CTPS1CTPS2WNT3A
SCHEMBL21077063 0.86 CTPS1 (0.49) CTPS1CTPS2GSK3BDYRK1A
SCHEMBL21077188 0.86 CTPS1 (0.51) CTPS1CTPS2ABL1
SCHEMBL21077165 0.85 CTPS1 (0.47) CTPS1CTPS2WNT3A

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