SCHEMBL24614566

SCHEMBL24614566

CC(C)(C(=O)O)c1ccc(-n2cnc3cc(Br)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.53
SIK2 Q9H0K1 2/20 0.53
SIK3 Q9Y2K2 2/20 0.53
HPGD P15428 3/20 0.49
FGFR1 P11362 7/20 0.48
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GSK3B P49841 1/20 0.44
RIPK1 Q13546 1/20 0.43
RIPK3 Q9Y572 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL24614570 0.85 HPGD (0.50) SIK1SIK2SIK3HPGDFGFR1
SCHEMBL24614567 0.80 FGFR1 (0.68) SIK1SIK2SIK3HPGDFGFR1
SCHEMBL17152727 0.80 HPGD (0.54) SIK1SIK2SIK3HPGDFGFR1
SCHEMBL29776603 0.77 SIK1 (0.52) SIK1SIK2SIK3HPGDFGFR1
SCHEMBL28577316 0.77 SIK1 (0.52) SIK1SIK2SIK3HPGDFGFR1
SCHEMBL17149333 0.77 FGFR1 (0.62) SIK1SIK2SIK3HPGDFGFR1
SCHEMBL31036602 0.76 FGFR1 (0.66) FGFR1
SCHEMBL1129240 0.76 FGFR1 (0.66) FGFR1
SCHEMBL14065338 0.75 FGFR1 (0.76) SIK1SIK2SIK3HPGDFGFR1
SCHEMBL24614568 0.74 SIK1 (0.49) SIK1SIK2SIK3HPGDFGFR1

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
WO-2022148196-A1 MULTIKINASE INHIBITOR AND USE THEREOF 苏州安睿药业有限公司 2022-07-14 WO disclosed