SCHEMBL20810656

SCHEMBL20810656

Nc1nccn2c(I)nc(I)c12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.36
TNK2 Q07912 12/20 0.35
BTK Q06187 1/20 0.35
ABL1 P00519 4/20 0.34
SRC P12931 4/20 0.34
FGFR2 P21802 1/20 0.33

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
SCHEMBL13201547 0.81 BTK (0.48) NUDT1TNK2BTKABL1SRC
SCHEMBL17893144 0.81 NUDT1 (0.34) NUDT1TNK2BTKABL1SRC
SCHEMBL1129368 0.81 NUDT1 (0.34) NUDT1TNK2BTKABL1SRC
SCHEMBL13218530 0.81 TNK2 (0.37) NUDT1TNK2BTKABL1SRC
SCHEMBL12436063 0.78 SRC (0.53) NUDT1TNK2BTKABL1SRC
SCHEMBL12437111 0.78 TNK2 (0.51) NUDT1TNK2BTKABL1SRC
SCHEMBL1130563 0.78 TNK2 (0.51) NUDT1TNK2BTKABL1SRC
SCHEMBL398874 0.74 FGFR2 (0.57) TNK2FGFR2
SCHEMBL4316054 0.72 TNK2 (0.48) TNK2FGFR2
SCHEMBL13962774 0.72 TNK2 (0.56) TNK2FGFR2

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-2948431-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-03-13 EP disclosed