SCHEMBL28930107

SCHEMBL28930107

Cn1nc(C(F)F)c(C(N)=O)c1-c1c(Br)cccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PLA2G10 O15496 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.33
CCNA1 P78396 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
PRKCQ Q04759 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GRM2 Q14416 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
SCHEMBL28430781 0.87 POLB (0.41) POLBPLA2G10KMT2ASMN1; SMN2CSNK1E
SCHEMBL27708027 0.85 SCN9A (0.41) POLBLMNACSNK1ENTRK1
SCHEMBL22534182 0.85 POLB (0.40) POLBPLA2G10CCNA2CDK2PLK1
SCHEMBL27719735 0.84 POLB (0.39) POLBPLA2G10CCNA2CDK2PLK1
SCHEMBL28930106 0.83 GRM2 (0.39) POLBGRM2MEN1KMT2APABPC1
SCHEMBL28248772 0.82 POLB (0.51) POLBPLA2G10CSF1RFGFR1FLT1
SCHEMBL3232399 0.82 POLB (0.40) POLBPLA2G10CSF1RFGFR1FLT1
SCHEMBL3865439 0.80 POLB (0.39) POLBPLA2G10CSF1RFGFR1FLT1
SCHEMBL18691185 0.80 POLB (0.40) POLBPLA2G10CSF1RFGFR1FLT1
SCHEMBL28963624 0.77 POLB (0.38) POLBPLA2G10GRM2KMT2ACA1

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-113788790-A Aromatic heterocyclic amide derivative and application thereof 华东理工大学 2021-12-14 CN disclosed