SCHEMBL28637007

SCHEMBL28637007

COCCn1cc(C(=O)Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
IKBKE Q14164 5/20 0.39
TBK1 Q9UHD2 5/20 0.39
JAK1 P23458 6/20 0.38
JAK3 P52333 6/20 0.38
JAK2 O60674 3/20 0.38
PRKAA1 Q13131 2/20 0.38
RET P07949 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
MERTK Q12866 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAP3K5 Q99683 1/20 0.38
ACHE P22303 2/20 0.38
TYK2 P29597 2/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
PRKAB2 O43741 1/20 0.36
ABL1 P00519 1/20 0.36
CSF1R P07333 1/20 0.36

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
SCHEMBL18397011 0.85 L3MBTL1 (0.50) L3MBTL1IKBKETBK1JAK1JAK3
SCHEMBL2828291 0.85 L3MBTL1 (0.68) L3MBTL1IKBKETBK1JAK1JAK3
SCHEMBL22183009 0.84 L3MBTL1 (0.49) L3MBTL1IKBKETBK1JAK1JAK3
SCHEMBL22064000 0.84 L3MBTL1 (0.49) L3MBTL1IKBKETBK1JAK1JAK3
SCHEMBL18397398 0.81 L3MBTL1 (0.46) L3MBTL1IKBKETBK1JAK1JAK3
SCHEMBL2823114 0.80 L3MBTL1 (0.49) L3MBTL1HPGDLMNAKDM4EALDH1A1
SCHEMBL3063805 0.78 L3MBTL1 (0.51) L3MBTL1ACHEHPGDLMNAKDM4E
SCHEMBL2828436 0.76 L3MBTL1 (0.44) L3MBTL1LMNAKDM4EALDH1A1
SCHEMBL23535650 0.75 L3MBTL1 (0.50) L3MBTL1IKBKETBK1PRKAA1PRKAB2
SCHEMBL1663037 0.74 MEN1 (0.45) L3MBTL1IKBKETBK1JAK2LMNA

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-113227070-A ASK1 inhibitors 比奥根MA公司 2021-08-06 CN disclosed