SCHEMBL29205284

SCHEMBL29205284

COc1cc2nccc(NN)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.64
SRC P12931 3/20 0.62
GAK O14976 3/20 0.62
BMPR1B O00238 1/20 0.62
EPHB6 O15197 1/20 0.62
RIPK2 O43353 1/20 0.62
ABL1 P00519 1/20 0.62
LCK P06239 1/20 0.62
EPHA1 P21709 1/20 0.62
EPHA8 P29322 1/20 0.62
ACVR1 Q04771 1/20 0.62
MAP2K5 Q13163 1/20 0.62
COQ8A Q8NI60 1/20 0.62
NLK Q9UBE8 1/20 0.62
PDGFRA P16234 2/20 0.52
KRAS P01116 2/20 0.52
SOS1 Q07889 2/20 0.52
PDGFRB P09619 1/20 0.51
FGFR2 P21802 1/20 0.49
EHMT2 Q96KQ7 1/20 0.48

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
SCHEMBL15607569 0.85 EGFR (0.66) EGFRSRCGAKBMPR1BEPHB6
SCHEMBL4400367 0.80 PDGFRB (0.72) EGFRSRCPDGFRAPDGFRBFGFR2
SCHEMBL14966516 0.79 EGFR (0.75) EGFRSRCGAKBMPR1BEPHB6
SCHEMBL3064565 0.79 HTR1A (0.67) GAKRIPK2COQ8ANLK
SCHEMBL29205334 0.79 HTR1A (0.70) EGFRGAKRIPK2ACVR1COQ8A
SCHEMBL21358588 0.78 PDGFRA (0.60) EGFRSRCGAKBMPR1BEPHB6
SCHEMBL22455222 0.78 EGFR (0.58) EGFRSRCGAKBMPR1BEPHB6
SCHEMBL8501712 0.78 EGFR (0.74) EGFRSRCGAKBMPR1BEPHB6
Amiquinsin SCHEMBL242841 0.77 EHMT2 (0.63) EGFRSRCGAKBMPR1BEPHB6
SCHEMBL30880708 0.77 GAK (0.75) EGFRSRCGAKBMPR1BEPHB6

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-117999075-A Compounds and pharmaceutical compositions comprising inhibitors of amyloid peptide interaction with glycosaminoglycans, methods of treatment, and uses thereof 吉斯莫治疗股份有限公司 2024-05-07 CN disclosed