SCHEMBL29444432

SCHEMBL29444432

COCOc1cnc(C)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.34
UCHL1 P09936 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 2/20 0.32
DGAT1 O75907 1/20 0.30

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
SCHEMBL28694286 1.00 EGFR (0.34) EGFRUCHL1SLC6A2SLC6A4SLC6A3
SCHEMBL16815751 0.88 EGFR (0.39) EGFRUCHL1SLC6A2SLC6A4SLC6A3
SCHEMBL22124100 0.84 EGFR (0.36) EGFRUCHL1DGAT1
SCHEMBL22320285 0.78 ACHE (0.33) EGFRUCHL1
SCHEMBL30229151 0.78 TTK (0.32) EGFRUCHL1DGAT1
SCHEMBL19491485 0.77 DGAT1 (0.33) EGFRUCHL1DGAT1
SCHEMBL31753982 0.77 EGFR (0.36) EGFR
SCHEMBL24046844 0.76 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL28935339 0.76 DGAT1 (0.30) DGAT1
SCHEMBL19087000 0.75 CSF1R (0.34) EGFRUCHL1

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-114057759-A Condensed tetracyclic derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-02-18 CN disclosed