SCHEMBL31052268

SCHEMBL31052268

CNc1nc(COCc2ccc(OC)cc2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
PKM P14618 4/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FGFR4 P22455 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
HTR6 P50406 2/20 0.36
EGFR P00533 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACVR1 Q04771 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
RAB9A P51151 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
SCHEMBL25256633 1.00 ALDH1A1 (0.41) ALDH1A1PKMLMNASMN1; SMN2FGFR4
SCHEMBL25222858 0.86 ALDH1A1 (0.42) ALDH1A1PKMLMNASMN1; SMN2FGFR4
SCHEMBL31052288 0.86 ALDH1A1 (0.42) ALDH1A1PKMLMNASMN1; SMN2FGFR4
SCHEMBL31052234 0.81 L3MBTL1 (0.45) L3MBTL1HTR6ACVR1RAPGEF4
SCHEMBL25273851 0.81 L3MBTL1 (0.45) L3MBTL1HTR6ACVR1RAPGEF4
SCHEMBL25220806 0.77 L3MBTL1 (0.44) ALDH1A1L3MBTL1HTR6MAPTKDM4E
SCHEMBL31052350 0.74 L3MBTL1 (0.42) ALDH1A1PKMLMNASMN1; SMN2L3MBTL1
SCHEMBL25273685 0.73 L3MBTL1 (0.48) ALDH1A1PKML3MBTL1HTR6MAPT
SCHEMBL31052395 0.73 L3MBTL1 (0.48) ALDH1A1PKML3MBTL1HTR6MAPT
SCHEMBL31052300 0.72 L3MBTL1 (0.44) ALDH1A1PKMSMN1; SMN2L3MBTL1HTR6

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-118525020-A Compound with CLK and DYRK inhibiting activity, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2024-08-20 CN disclosed