SCHEMBL24614570

SCHEMBL24614570

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
SIK1 P57059 2/20 0.50
SIK2 Q9H0K1 2/20 0.50
SIK3 Q9Y2K2 2/20 0.50
FGFR1 P11362 6/20 0.47
THRB P10828 1/20 0.45
ALDH1A1 P00352 1/20 0.44
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44
AURKB Q96GD4 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL17152727 0.85 HPGD (0.54) HPGDSIK1SIK2SIK3FGFR1
SCHEMBL24614566 0.85 SIK1 (0.53) HPGDSIK1SIK2SIK3FGFR1
SCHEMBL24614567 0.80 FGFR1 (0.68) HPGDSIK1SIK2SIK3FGFR1
SCHEMBL29776603 0.77 SIK1 (0.52) HPGDSIK1SIK2SIK3FGFR1
SCHEMBL28577316 0.77 SIK1 (0.52) HPGDSIK1SIK2SIK3FGFR1
SCHEMBL31036602 0.76 FGFR1 (0.66) FGFR1ALDH1A1KDR
SCHEMBL1129240 0.76 FGFR1 (0.66) FGFR1ALDH1A1KDR
SCHEMBL121458 0.75 FGFR1 (0.72) HPGDFGFR1THRBALDH1A1GSK3B
SCHEMBL2666380 0.75 HPGD (0.52) HPGDFGFR1ALDH1A1AURKAKDR
SCHEMBL14065338 0.75 FGFR1 (0.76) HPGDSIK1SIK2SIK3FGFR1

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