SCHEMBL27909189

SCHEMBL27909189

CC(=O)Oc1c(-c2ccc(F)cc2)nn2c1C(C)CC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.37
SLC34A1 Q06495 1/20 0.37
SMO Q99835 3/20 0.36
CSNK1E P49674 3/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPK1 P28482 1/20 0.34
CSNK1D P48730 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
UGCG Q16739 2/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
HTR3A P46098 1/20 0.34
PREP P48147 1/20 0.33

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
SCHEMBL2522820 0.79 CSNK1E (0.41) KCNK3SMOCSNK1EKCNH2MAPK11
SCHEMBL2529238 0.79 LMNA (0.45) CSNK1EMAPK11MAPK14CSNK1DNPC1
SCHEMBL27909556 0.74 KCNK3 (0.41) KCNK3SLC34A1KCNH2MAPK1RAB9A
SCHEMBL27627752 0.68 MAPK14 (0.45) KCNH2MAPK11MAPK14HTR3A
SCHEMBL26645086 0.65 CSNK1E (0.39) SMOCSNK1EKCNH2CSNK1DUGCG
SCHEMBL26645391 0.63 MAPK14 (0.48) CSNK1EKCNH2MAPK11MAPK14CSNK1D
SCHEMBL28252927 0.60 GCGR (0.40) PREP
SCHEMBL22083773 0.60 HSD17B10 (0.63) RAB9A
SCHEMBL24553792 0.59 CSNK1E (0.52) KCNK3CSNK1EMAPK1CSNK1D
SCHEMBL30218346 0.58 ALDH1A1 (0.52) MAPK14NPC1RAB9A

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
CN-102947303-A Bicyclic pyrimidinyl pyrazoles BAYER CROPSCIENCE AG 2013-02-27 CN disclosed