SCHEMBL21387600

SCHEMBL21387600

CC(C)(C=O)c1ccnc(NSC2CC2)n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 3/20 0.31
SYK P43405 2/20 0.31
TAS2R14 Q9NYV8 1/20 0.30

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
SCHEMBL21387693 0.84 SYK (0.43) CTPS1SYK
SCHEMBL21387688 0.78 SYK (0.32) SYK
SCHEMBL21387640 0.76 CTPS1 (0.52) CTPS1
SCHEMBL21387636 0.75 CTPS1 (0.39) CTPS1
SCHEMBL21392081 0.74 TAS2R14 (0.40) SYKTAS2R14
SCHEMBL21387637 0.72 MAPK1 (0.45) CTPS1SYK
SCHEMBL21387698 0.72 HTR3A (0.32) CTPS1
SCHEMBL21392071 0.71 CTPS1 (0.31) CTPS1
SCHEMBL22762464 0.70 ATAD2 (0.41)
SCHEMBL21387725 0.70 CTPS1 (0.44) CTPS1SYK

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-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 EP disclosed