SCHEMBL21392325

SCHEMBL21392325

CCOc1cncc(-c2ccc(NC(=O)C(C)(CCOC)c3ccnc(N)n3)nc2)n1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 19/20 0.79
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL22924907 0.88 CTPS1 (1.00) CTPS1
SCHEMBL30416376 0.85 CTPS1 (0.77) CTPS1
SCHEMBL22924964 0.85 CTPS1 (0.77) CTPS1
SCHEMBL21381595 0.84 CTPS1 (1.00) CTPS1
SCHEMBL26977288 0.81 CTPS1 (0.64) CTPS1
SCHEMBL22924887 0.81 CTPS1 (0.69) CTPS1
SCHEMBL22924906 0.79 CTPS1 (0.82) CTPS1
SCHEMBL21373804 0.75 CTPS1 (1.00) CTPS1
SCHEMBL21392120 0.74 CTPS1 (0.81) CTPS1
SCHEMBL23121287 0.71 CTPS1 (0.57) CTPS1

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