SCHEMBL19981736

SCHEMBL19981736

CC1C=C(C(=O)Nc2cc(-c3cc(Nc4ccncn4)c(=O)[nH]n3)ccc2F)C=CC1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.39
MPL P40238 10/20 0.34
EGFR P00533 1/20 0.32
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
MKNK1 Q9BUB5 2/20 0.31
MKNK2 Q9HBH9 1/20 0.31
MAPKAPK2 P49137 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
SCHEMBL2459218 0.81 KIT (0.48) BTKMPL
SCHEMBL2466471 0.79 BTK (0.45) BTKMPLGSK3AGSK3BDYRK1A
SCHEMBL2461976 0.78 BTK (0.50) BTKMPLEGFRGSK3AGSK3B
SCHEMBL9985149 0.78 BTK (0.43) BTKMPL
SCHEMBL2464530 0.74 MPL (0.43) BTKMPL
SCHEMBL2462052 0.74 BTK (0.64) BTKMPL
SCHEMBL19981663 0.73 BTK (0.41) BTKMPLEGFR
SCHEMBL12045170 0.73 GSK3A (0.41) BTKMPLGSK3AGSK3BDYRK1A
SCHEMBL9984355 0.72 BTK (0.54) BTKMPL
SCHEMBL9984360 0.72 BTK (0.52) BTKMPL

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-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed