SCHEMBL21392333

SCHEMBL21392333

CCOc1cnc(-c2ccc(NC(=O)C(F)(CC)c3ccnc(N(Cc4ccc(OC)cc4)SC4CC4)n3)nc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 14/20 0.38
WNT3A P56704 1/20 0.34
SYK P43405 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL21392001 0.87 CTPS1 (0.41) CTPS1WNT3A
SCHEMBL21392038 0.78 MAPT (0.35) SMN1; SMN2MAPTKDM4E
SCHEMBL23121032 0.78 CTPS1 (0.51) CTPS1
SCHEMBL29566569 0.78 CTPS1 (0.51) CTPS1
SCHEMBL21392334 0.73 CTPS1 (0.50) CTPS1
SCHEMBL29489085 0.72 CTPS1 (0.52) CTPS1
SCHEMBL29086297 0.72 CTPS1 (0.52) CTPS1
SCHEMBL21392292 0.72 ALDH1A1 (0.35) MAPTKDM4EALDH1A1
SCHEMBL21392153 0.71 CTPS1 (0.45) CTPS1WNT3A
SCHEMBL24832439 0.71 CTPS1 (0.59) 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