SCHEMBL20084192

SCHEMBL20084192

Cc1cc(Oc2c(F)cccc2F)ncc1N(C)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.39
SCN9A Q15858 1/20 0.35
SYK P43405 1/20 0.34
AKT1 P31749 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
S1PR3 Q99500 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
RXRB P28702 2/20 0.32
DGAT1 O75907 1/20 0.32
KDR P35968 1/20 0.32
MAPK14 Q16539 1/20 0.32
TNNI3K Q59H18 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
SCHEMBL18331721 0.88 GCK (0.38) GCKSCN9ASYKS1PR3RXRB
SCHEMBL21899937 0.79 GCK (0.37) GCKGPBAR1RXRBDGAT1KDR
SCHEMBL21572525 0.75 GCK (0.38) GCKRXRB
SCHEMBL4375001 0.73 AKT1 (0.42) SCN9ASYKAKT1
SCHEMBL4364528 0.72 AKT1 (0.40) AKT1
SCHEMBL15135380 0.71 AKT1 (0.45) SCN9ASYKAKT1
SCHEMBL18332107 0.70 MEN1 (0.40) GCKSCN9ASYKRXRBDGAT1
SCHEMBL20084783 0.70 GCK (0.46) GCKRXRB
SCHEMBL27300208 0.70 NAMPT (0.44) SCN9A
SCHEMBL12060874 0.69 AKT1 (0.48) AKT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 EP disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 EP disclosed