SCHEMBL30887705

SCHEMBL30887705

CCOC(=O)c1c(NCc2ccc(OC)cc2)cc(Cl)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 2/20 0.52
CD38 P28907 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ASPH Q12797 1/20 0.44
RIOX2 Q8IUF8 1/20 0.44
KDM8 Q8N371 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GLA P06280 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL29410010 0.81 MAPT (0.58) GAAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL22712548 0.81 MAPT (0.58) GAAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL22712456 0.81 MAPT (0.58) GAAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL31252847 0.80 GAA (0.56) GAAMAPTCD38SMN1; SMN2KMT2A
SCHEMBL15270392 0.80 GAA (0.56) GAAMAPTCD38SMN1; SMN2KMT2A
SCHEMBL25151518 0.79 GAA (0.53) GAAPOLBMAPTKMT2AKDM4E
SCHEMBL30593191 0.79 GAA (0.53) GAAPOLBMAPTKMT2AKDM4E
SCHEMBL31361060 0.78 CD38 (0.52) GAACD38KMT2AKDM4EMEN1
SCHEMBL31522867 0.77 MAPT (0.53) GAAPOLBMAPTSMN1; SMN2TP53
SCHEMBL23015337 0.75 KDM4E (0.48) POLBMAPTCD38KMT2AKDM4E

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
CN-119855815-A KRAS mutant protein inhibitor, and preparation method and application thereof 甘李药业股份有限公司 2025-04-18 CN disclosed
WO-2024061333-A1 KRAS MUTANT PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 甘李药业股份有限公司 2024-03-28 WO disclosed