SCHEMBL5790922

SCHEMBL5790922

COc1cc(-n2nc3c(c2N)c(=O)[nH]c2cc(OCC(=O)O)ccc23)c(C)cc1Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
BTK Q06187 3/20 0.36
FGFR1 P11362 3/20 0.34
MAPT P10636 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
LMNA P02545 1/20 0.33
KYAT3 Q6YP21 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
MMP13 P45452 1/20 0.33
ADORA2B P29275 1/20 0.33
MPO P05164 1/20 0.33
BRD4 O60885 1/20 0.32
PDE2A O00408 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 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
SCHEMBL13025340 0.94 SMN1; SMN2 (0.40) KMT2ABTKMAPTTRPC6KYAT3
SCHEMBL2867281 0.92 GAA (0.37) GAAKMT2ABTKFGFR1BRD4
SCHEMBL2861463 0.89 PDE2A (0.35) BTKFGFR1KYAT3AADATPDE2A
SCHEMBL2867315 0.89 PDGFRB (0.33) GAABTKFGFR1TRPC6KYAT3
SCHEMBL2869051 0.88 TSHR (0.34) BTKFGFR1TRPC6LMNAKYAT3
SCHEMBL2857657 0.88 POLB (0.37) KMT2ABTKFGFR1TRPC6KYAT3
SCHEMBL2861219 0.87 KYAT3 (0.36) GAAKMT2ABTKFGFR1KYAT3
SCHEMBL13025396 0.86 SMN1; SMN2 (0.40) KMT2ABTKMAPTEGFRMMP13
SCHEMBL2868573 0.86 ADORA3 (0.39) KMT2ABTKFGFR1MAPTKYAT3
SCHEMBL2868584 0.85 KMT2A (0.37) GAAKMT2AFGFR1PDE2APOLB

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
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP disclosed