SCHEMBL21392042

SCHEMBL21392042

O=CCc1cccc(NSC2CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33

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
SCHEMBL21392071 0.75 CTPS1 (0.31)
SCHEMBL22482055 0.72 PGK1 (0.43)
SCHEMBL15332206 0.70 KMT2A (0.42) HPGD
SCHEMBL8028444 0.69 ADORA2A (0.36)
SCHEMBL24862870 0.67 GRM5 (0.40)
SCHEMBL29952585 0.66 CCR2 (0.42)
SCHEMBL20730061 0.64 PGK1 (0.41)
SCHEMBL3363182 0.64 CYP3A4 (0.42) HPGD
SCHEMBL247492 0.64 SMN1; SMN2 (0.44) HPGD
SCHEMBL4287573 0.64 MBOAT4 (0.33)

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 2 patents. 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
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed