SCHEMBL31038532

SCHEMBL31038532

Cc1nc2c(Cl)nc(Br)cn2n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.30

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
SCHEMBL19630162 0.81
SCHEMBL31599851 0.81 NPC1 (0.31) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15415906 0.77
SCHEMBL31038498 0.74 ROCK1 (0.34) KMT2ANPC1RAB9A
SCHEMBL25342261 0.73 KDM4E (0.35) KDM4EMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL19761065 0.73 TLR9 (0.35) KDM4EMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL19761037 0.73 TLR9 (0.34) KDM4EMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL1745767 0.73 MAPT (0.35) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL31600741 0.71 CSNK1D (0.33) KMT2ASMN1; SMN2
SCHEMBL23828588 0.71 PDE5A (0.40) KDM4EMAPTKMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118480039-A KIF18A inhibitor and preparation method and application thereof 南京同诺康医药科技有限公司 2024-08-13 CN disclosed