SCHEMBL31052307

SCHEMBL31052307

C=Cc1nc(NC)nc2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
HTR6 P50406 5/20 0.39
BRD4 O60885 1/20 0.37
PKM P14618 3/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
KDM4E B2RXH2 2/20 0.35
UBE2N P61088 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACVR1 Q04771 1/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 3/20 0.34
POLB P06746 2/20 0.34
ALDH3A1 P30838 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL25216328 1.00 L3MBTL1 (0.45) L3MBTL1HTR6BRD4PKMRAPGEF4
SCHEMBL25273685 0.82 L3MBTL1 (0.48) L3MBTL1HTR6BRD4PKMRAPGEF4
SCHEMBL31052395 0.82 L3MBTL1 (0.48) L3MBTL1HTR6BRD4PKMRAPGEF4
SCHEMBL25220975 0.82 RAPGEF4 (0.38) L3MBTL1HTR6RAPGEF4HDAC1ALDH1A1
SCHEMBL25273851 0.79 L3MBTL1 (0.45) L3MBTL1HTR6BRD4RAPGEF4CA1
SCHEMBL31052234 0.79 L3MBTL1 (0.45) L3MBTL1HTR6BRD4RAPGEF4CA1
SCHEMBL30542311 0.79 L3MBTL1 (0.36) L3MBTL1BRD4RAPGEF4KDM4EUBE2N
SCHEMBL31052300 0.78 L3MBTL1 (0.44) L3MBTL1HTR6BRD4PKMRAPGEF4
SCHEMBL16809588 0.78 L3MBTL1 (0.49) L3MBTL1HTR6BRD4PKMRAPGEF4
SCHEMBL25220806 0.77 L3MBTL1 (0.44) L3MBTL1HTR6BRD4RAPGEF4KDM4E

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