SCHEMBL28558142

SCHEMBL28558142

Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.50
NTRK2 Q16620 9/20 0.50
IGF1R P08069 4/20 0.50
FGFR1 P11362 4/20 0.50
NTRK3 Q16288 6/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ESR2 Q92731 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
EPHX1 P07099 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.36
PDE3B Q13370 1/20 0.36

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
SCHEMBL28549764 0.89 NTRK1 (0.62) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL28397645 0.79 LMNA (0.47) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL21295325 0.78 NTRK1 (0.81) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL30743934 0.78 NTRK1 (0.81) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL8472583 0.77 NTRK1 (0.57) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL28398126 0.77 NTRK1 (0.45) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL28402166 0.77 NTRK1 (0.45) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL23292598 0.75 NTRK1 (0.40) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL21305379 0.74 NTRK1 (0.46) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL23292683 0.72 NTRK1 (0.55) NTRK1NTRK2IGF1RFGFR1NTRK3

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-112703187-A 4-substituted phenyl-1, 3, 5-triazine derivatives as modulators of TRK receptors 阿泽克制药公司 2021-04-23 CN disclosed