SCHEMBL29488995

SCHEMBL29488995

O=C(NC1(c2csc(NS(=O)(=O)C3CC3)n2)CC1)c1ccc2ccncc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 12/20 0.48
CTPS2 Q9NRF8 1/20 0.41
SMYD3 Q9H7B4 2/20 0.38
AKT1 P31749 4/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
NAMPT P43490 1/20 0.37
CDK2 P24941 1/20 0.35

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
SCHEMBL24369406 1.00 CTPS1 (0.48) CTPS1CTPS2SMYD3AKT1LCK
SCHEMBL29488981 0.96 CTPS1 (0.48) CTPS1CTPS2SMYD3AKT1CDK2
SCHEMBL24369397 0.96 CTPS1 (0.48) CTPS1CTPS2SMYD3AKT1CDK2
SCHEMBL29488837 0.89 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL24369378 0.89 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL22490741 0.84 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL24369413 0.83 SMYD3 (0.39) SMYD3AKT1LCKCSF1RKDR
SCHEMBL24369028 0.83 CTPS1 (0.45) CTPS1CTPS2MAPK14
SCHEMBL24369162 0.83 CTPS1 (0.45) CTPS1CTPS2
SCHEMBL29488826 0.83 CTPS1 (0.45) CTPS1CTPS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232425-A1 CTPS1 INHIBITORS AND USES THEREOF Nimbus Clotho, Inc. (US) 2023-08-30 EP disclosed
CN-116601131-A CTPS1 inhibitor and application thereof 林伯士克洛索有限公司 2023-08-15 CN disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO disclosed