SCHEMBL22649221

SCHEMBL22649221

CC(=O)c1cc(C(C)(F)F)n[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ RET P07949 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ ALPL P05186 5/20 0.32
▸ CA12 O43570 1/20 0.30
▸ RPA1 P27694 1/20 0.30

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
SCHEMBL27316081 0.87 MAPK1 (0.34) MAPK1HCAR3CHEK1RETPDGFRB
SCHEMBL6109157 0.85 ALPL (0.44) HCAR3ALPLCA12RPA1
SCHEMBL6211786 0.85 HPGD (0.40) MAPK1HCAR3CHEK1RETPDGFRB
SCHEMBL24906335 0.77 ALPL (0.50) MAPK1ALPL
SCHEMBL16629835 0.71 CHEK1 (0.51) MAPK1CHEK1RETPDGFRBPIM1
SCHEMBL569002 0.70 — —
SCHEMBL21233312 0.70 MAPT (0.45) —
SCHEMBL12011328 0.70 MAPK1 (0.52) MAPK1HCAR3ALPL
SCHEMBL3452780 0.69 DYRK1A (0.34) MAPK1ALPLCA12RPA1DYRK1A
SCHEMBL894643 0.69 ALPL (0.50) HCAR3ALPLCA12RPA1

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-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 — — WO disclosed
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