SCHEMBL21723344

SCHEMBL21723344

Cc1ccc(-c2nc(S)nn2C)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.36
GRM2 Q14416 1/20 0.35
GRM5 P41594 2/20 0.34
AOC3 Q16853 2/20 0.34
RIPK2 O43353 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
SRC P12931 1/20 0.32
FLT3 P36888 1/20 0.32
SIK1 P57059 1/20 0.32
RIPK4 P57078 1/20 0.32
DDR1 Q08345 1/20 0.32
RIPK1 Q13546 1/20 0.32
DSTYK Q6XUX3 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
BACE1 P56817 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL10308936 0.70 RIPK2 (0.36) GRM2GRM5RIPK2PDGFRBKIT
SCHEMBL24407519 0.70 GAA (0.40) GRM5AOC3PDE4BPDE4DHSD11B1
SCHEMBL13520606 0.70 GRM2 (0.44) GRM2
SCHEMBL18069654 0.68 GRM2 (0.44) GRM2
SCHEMBL21723360 0.68 KMT2A (0.34) PDGFRB
SCHEMBL19998590 0.67 COMT (0.42) GRM2RIPK2PDGFRBKITSRC
SCHEMBL16285443 0.66 ATM (0.43) GRM2BACE1
SCHEMBL13967517 0.64 PTGS2 (0.46)
SCHEMBL10304594 0.64 PDE10A (0.43) CRHR1GRM5AOC3PDE4BPDE4D
SCHEMBL12628086 0.64 GRM2 (0.41) GRM2

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-2020036134-A1 5-(1,2,4-TRIAZOLE-5-YL) BENZOIC ACID AMIDE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT クミアイ化学工業株式会社 2020-02-20 WO disclosed