SCHEMBL21387693

SCHEMBL21387693

CC(C)(C)c1ccnc(NSC2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.43
GSK3B P49841 1/20 0.33
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
CTPS1 P17812 4/20 0.31
CTSK P43235 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL21387600 0.84 CTPS1 (0.31) SYKCTPS1
SCHEMBL21387636 0.78 CTPS1 (0.39) CTPS1
SCHEMBL21392081 0.77 TAS2R14 (0.40) SYKHRH4HRH3
SCHEMBL84117 0.77 SYK (0.48) SYKGSK3BIDH1IDH2CTSK
SCHEMBL84157 0.73 SYK (0.50) SYK
SCHEMBL15181307 0.73 CTSK (0.56) SYKGSK3BCTSKHRH4
SCHEMBL21392118 0.72 CTSK (0.59) IDH1CTSK
SCHEMBL19171094 0.71 MAPK1 (0.57) SYKHRH4
SCHEMBL24650224 0.69 SYK (0.47) SYKIDH1IDH2HRH4
SCHEMBL21387698 0.69 HTR3A (0.32) 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
EP-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 EP disclosed