SCHEMBL21387604

SCHEMBL21387604

O=C(Cc1ccnc(NSC2CC2)n1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 13/20 0.69
▸ WNT3A P56704 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL21387674 0.91 CTPS1 (0.72) CTPS1WNT3A
SCHEMBL21387691 0.82 CTPS1 (0.74) CTPS1
SCHEMBL21373806 0.82 CTPS1 (1.00) CTPS1
SCHEMBL21387593 0.80 CTPS1 (0.60) CTPS1
SCHEMBL21387603 0.80 CTPS1 (0.49) CTPS1
SCHEMBL21387714 0.80 CTPS1 (0.41) CTPS1LMNA
SCHEMBL21387638 0.79 CTPS1 (0.51) CTPS1
SCHEMBL21387729 0.78 CTPS1 (0.46) CTPS1
SCHEMBL21387731 0.74 CTPS1 (0.72) CTPS1WNT3A
SCHEMBL21392071 0.68 CTPS1 (0.31) 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
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