SCHEMBL30865601

SCHEMBL30865601

CC(C)c1cnc(NCCS(C)(=O)=O)c2cnc(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
MAPK14 Q16539 1/20 0.35
LATS1 O95835 1/20 0.35
POLB P06746 1/20 0.34
TDO2 P48775 1/20 0.32
MAT2A P31153 1/20 0.31
SYK P43405 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL24811598 1.00 KCNJ5 (0.37) KCNJ5KCNJ3P2RX3P2RX2HRH4
SCHEMBL30164490 0.80 KDM4E (0.40) P2RX3P2RX2HRH4POLBMAT2A
SCHEMBL24810572 0.80 KDM4E (0.40) P2RX3P2RX2HRH4POLBMAT2A
SCHEMBL24811599 0.80
SCHEMBL24811604 0.74 KAT2B (0.36)
SCHEMBL30865632 0.74 KAT2B (0.36)
SCHEMBL30848841 0.73 GLP1R (0.39)
SCHEMBL24825118 0.73 GLP1R (0.39)
SCHEMBL29206744 0.69 SMN1; SMN2 (0.31)
SCHEMBL23578775 0.68 LMNA (0.33)

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-117916232-A Heterocyclic EGFR inhibitors for the treatment of cancer 缆图药品公司 2024-04-19 CN disclosed