SCHEMBL30289709

SCHEMBL30289709

COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(C3=CN(C(=O)[C@@H](C)O)CCC3)c3ccnc(N)n23)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.44
EGFR P00533 9/20 0.44
MET P08581 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 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
SCHEMBL30289725 1.00 BTK (0.44) BTKEGFRMETPOLBKMT2A
SCHEMBL30289782 0.95 BTK (0.45) BTKEGFRMETPOLBKMT2A
SCHEMBL28994189 0.92 BTK (0.46) BTKEGFRMETPOLBKMT2A
SCHEMBL30289717 0.91 BTK (0.45) BTKEGFRMETPOLBKMT2A
SCHEMBL30289638 0.87 BTK (0.44) BTKEGFR
SCHEMBL30289593 0.87 BTK (0.44) BTKEGFR
SCHEMBL30289579 0.86 BTK (0.48) BTKEGFRMETPOLBKMT2A
SCHEMBL30289735 0.84 BTK (0.45) BTKEGFR
SCHEMBL30289572 0.83 EGFR (0.54) BTKEGFRMETPOLBKMT2A
SCHEMBL30289635 0.81 EGFR (0.52) BTKEGFRMETPOLBKMT2A

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-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 CN disclosed