SCHEMBL31069650

SCHEMBL31069650

O=C1CCc2nc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
CYP2C19 P33261 1/20 0.33
TYMS P04818 1/20 0.33
PRKCI P41743 1/20 0.32
PARP1 P09874 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
VHL P40337 1/20 0.31
ELOC Q15369 1/20 0.31
ELOB Q15370 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL21223432 1.00 GRM5 (0.39) GRM5MAOAMAOBCASP1CASP7
SCHEMBL29561825 0.88 GRM5 (0.51) GRM5MAOAMAOBPRKCIMAPT
SCHEMBL30646100 0.88 GRM5 (0.47) GRM5MAOAMAOBPRKCIPARP1
SCHEMBL867309 0.88 GRM5 (0.51) GRM5MAOAMAOBPRKCIMAPT
SCHEMBL17606422 0.75 GRM5 (0.39) GRM5MAOAMAOBCASP1CASP7
SCHEMBL12983650 0.75 CYP2C19 (0.58) GRM5CASP1CASP7HSD17B10NSD2
SCHEMBL31067757 0.75 CYP2C19 (0.58) GRM5CASP1CASP7HSD17B10NSD2
SCHEMBL16798336 0.75 GRM5 (0.39) GRM5CASP1CASP7HSD17B10CYP2C19
SCHEMBL31554167 0.75 CYP2C19 (0.34) GRM5TDP2NSD2CYP2C19
SCHEMBL23666903 0.73 MAP4K1 (0.35) GRM5MAOAMAOBTDP2NSD2

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-4719394-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2026-04-08 EP disclosed
WO-2024250010-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2024-12-05 WO disclosed
CN-118265700-A Substituted naphthyridinone derivative, pharmaceutical composition and application thereof 上海海雁医药科技有限公司 2024-06-28 CN disclosed