SCHEMBL30458152

SCHEMBL30458152

CCOC(=O)c1cc2ccncc2n1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NOD2 Q9HC29 5/20 0.44
NOD1 Q9Y239 5/20 0.44
IDO1 P14902 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
QRFPR Q96P65 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
F10 P00742 2/20 0.42
ELANE P08246 2/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 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
SCHEMBL4165599 1.00 NAMPT (0.47) NAMPTKDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL1092502 0.80 KDM4E (0.62) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL30220531 0.79 MCL1 (0.60) NAMPTKDM4ESMN1; SMN2IDO1MAPT
SCHEMBL1569013 0.79 MCL1 (0.60) NAMPTKDM4ESMN1; SMN2IDO1MAPT
SCHEMBL29900579 0.79 NOD2 (0.44) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL978413 0.79 NOD2 (0.44) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL6796925 0.77 CA12 (0.49) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL4913934 0.77 MEN1 (0.49) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL20951622 0.77 QRFPR (0.44) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL22346624 0.77 QRFPR (0.45) KDM4ECRHBPCRHR2SMN1; SMN2NOD2

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-4408845-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2024-08-07 EP disclosed
CN-118139864-A New compounds 西特瑞治疗有限公司 2024-06-04 CN disclosed
WO-2023052783-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-04-06 WO disclosed