SCHEMBL11089647

SCHEMBL11089647

CN(C)c1ccc2[nH]c(=O)n3nc(C(=O)O)nc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 5/20 0.47
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
JAK2 O60674 1/20 0.43
PAK4 O96013 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43
GRK5 P34947 1/20 0.43
MAP2K2 P36507 1/20 0.43
FLT3 P36888 1/20 0.43
MAPK8 P45983 1/20 0.43
CDK8 P49336 1/20 0.43

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
SCHEMBL11081150 0.84 HAVCR2 (0.53) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11083967 0.83 HAVCR2 (0.48) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11088372 0.81 CA12 (0.48) HAVCR2GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL11083501 0.81 HAVCR2 (0.67) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11086459 0.81 JAK2 (0.50) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11085566 0.81 JAK2 (0.47) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11082526 0.81 HAVCR2 (0.66) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11087925 0.81 JAK2 (0.45) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11089699 0.79 ERCC1 (0.55) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11089513 0.79 JAK2 (0.46) HAVCR2JAK2PAK4NTRK1LCK

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
US-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 US disclosed