SCHEMBL21392034

SCHEMBL21392034

COC(C(=O)O)c1cncc(NSC2CC2)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA1 P78396 2/20 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
SCHEMBL21391990 0.80 GAA (0.33)
SCHEMBL21381436 0.78 CTPS1 (0.42)
SCHEMBL21392238 0.73 ALDH1A1 (0.32) CCNA2CDK2CCNA1
SCHEMBL21392067 0.70
SCHEMBL21381412 0.70 CTSA (0.34) CDK2
SCHEMBL21392000 0.68 CTPS1 (0.43)
SCHEMBL30415946 0.68 CTPS1 (0.43)
SCHEMBL21392086 0.62
SCHEMBL21392345 0.62 CTPS1 (0.37)
SCHEMBL21392156 0.60 CTSA (0.34) CDK2

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