SCHEMBL16802193

SCHEMBL16802193

CC[C@H](C)c1cc(F)c2c(=O)[nH]ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.36
JAK2 O60674 6/20 0.36
KCNH2 Q12809 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
RPS6KA3 P51812 1/20 0.33
MELK Q14680 1/20 0.33
STK24 Q9Y6E0 1/20 0.33
JAK1 P23458 1/20 0.32

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
SCHEMBL16512907 1.00 CHEK1 (0.36) CHEK1JAK2KCNH2HDAC4HDAC2
SCHEMBL21785030 0.75 PARP1 (0.43) HDAC4HDAC2HDAC8
SCHEMBL22093860 0.74 JAK2 (0.44) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL13139330 0.73 CHEK1 (0.40) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL8348282 0.70 CHEK1 (0.47) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL30016027 0.70 CHEK1 (0.47) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL1727090 0.70 MAPT (0.39) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL13975636 0.70 BTK (0.43) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL611014 0.69 CHEK1 (0.36) CHEK1JAK2KCNH2RPS6KA3MELK
SCHEMBL24338048 0.68 CHEK1 (0.45) CHEK1JAK2KCNH2RPS6KA3MELK

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-2015084857-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE PHARMACYCLICS, INC. (US) 2015-06-11 WO disclosed