SCHEMBL30877241

SCHEMBL30877241

Cc1ccc(S(=O)(=O)n2cc(Cl)cc2-c2cnn(C3CCN(C)CC3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.39
BRD4 O60885 1/20 0.38
DYRK1A Q13627 2/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
DRD3 P35462 1/20 0.37
BPTF Q12830 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KHK P50053 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR6 P50406 1/20 0.37
DRD2 P14416 2/20 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
SCHEMBL30877239 0.93 BRD4 (0.41) METBRD4ADORA3DRD3BPTF
SCHEMBL30877294 0.89 MAP3K7 (0.45) METKHKPAK1
SCHEMBL30877371 0.88 CHRNB2 (0.44) METKHKCYP3A4PAK1
SCHEMBL30877417 0.86 PIM1 (0.38) BRD4DRD1ALDH1A1
SCHEMBL30877343 0.84 HTR6 (0.46) DYRK1AWNT1GSK3BADORA3DRD3
SCHEMBL29131767 0.83 ALDH1A1 (0.40) BRD4FGFR3ALDH1A1
SCHEMBL30877467 0.82 GRM5 (0.34) METBRD4ALDH1A1
SCHEMBL30877512 0.79 KRAS (0.35) METKHK
SCHEMBL30877402 0.78 ALDH1A1 (0.38) BRD4KDM4EALDH1A1
SCHEMBL30877321 0.76 RAPGEF4 (0.43) HTR6KDM4EALDH1A1EBPDHCR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed