SCHEMBL11080313

SCHEMBL11080313

CCCOc1ccc2[nH]c(=O)n3nc(C(=O)O)nc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 2/20 0.49
HTT P42858 1/20 0.48
JAK2 O60674 1/20 0.46
PAK4 O96013 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
MET P08581 1/20 0.46
PDGFRB P09619 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46
GRK5 P34947 1/20 0.46
MAP2K2 P36507 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK8 P45983 1/20 0.46
CDK8 P49336 1/20 0.46
GSK3A P49840 1/20 0.46

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
SCHEMBL11082607 0.91 HAVCR2 (0.51) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11082526 0.85 HAVCR2 (0.66) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11089513 0.81 JAK2 (0.46) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11085566 0.81 JAK2 (0.47) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11086681 0.80 JAK2 (0.45) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11081150 0.79 HAVCR2 (0.53) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11091041 0.79 JAK2 (0.44) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11087925 0.78 JAK2 (0.45) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11083967 0.78 HAVCR2 (0.48) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11079457 0.78 JAK2 (0.50) 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