SCHEMBL21387595

SCHEMBL21387595

CCC(C(=O)OC)(C(=O)OC(C)(C)C)c1ccnc(NSC2CC2)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 10/20 0.32
▸ CNR2 P34972 5/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ AAK1 Q2M2I8 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
SCHEMBL21373811 0.82 CTPS1 (0.48) CTPS1
SCHEMBL21387636 0.79 CTPS1 (0.39) CTPS1
SCHEMBL23121390 0.79 ALDH1A1 (0.34) POLBALDH1A1SYK
SCHEMBL21373756 0.78 AAK1 (0.38) POLBALDH1A1SYKAAK1
SCHEMBL21392165 0.73 ACACB (0.39) —
SCHEMBL21387693 0.73 SYK (0.43) CTPS1SYK
SCHEMBL21373726 0.72 CTPS1 (0.45) CTPS1
SCHEMBL21392033 0.71 LMNA (0.40) CNR2CNR1ALDH1A1SYKGPR119
SCHEMBL21387600 0.70 CTPS1 (0.31) CTPS1SYK
SCHEMBL24895507 0.70 ALDH1A1 (0.39) POLBALDH1A1SYK

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
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