SCHEMBL21392071

SCHEMBL21392071

O=CCc1ccnc(NSC2CC2)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 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
SCHEMBL21387714 0.78 CTPS1 (0.41) CTPS1
SCHEMBL21392042 0.75 HPGD (0.33) —
SCHEMBL21387657 0.72 CTPS1 (0.34) CTPS1
SCHEMBL5768666 0.72 PDPK1 (0.36) —
SCHEMBL21387600 0.71 CTPS1 (0.31) CTPS1
SCHEMBL21387698 0.71 HTR3A (0.32) CTPS1
SCHEMBL21392165 0.71 ACACB (0.39) —
SCHEMBL21392182 0.70 CTPS1 (0.33) CTPS1
SCHEMBL21391982 0.70 — —
SCHEMBL21392118 0.69 CTSK (0.59) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 — — WO disclosed
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 — — WO disclosed
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