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