SCHEMBL19981970

SCHEMBL19981970

CN1CCCC1c1ccc(N/C(=C/C(=N)c2ccc(F)c(NC(=O)c3cc4c(s3)CC(C)(C)C4O)c2)C(N)=O)nc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.34
BTK Q06187 5/20 0.33
F10 P00742 4/20 0.31
KCNH2 Q12809 3/20 0.31
ABL1 P00519 1/20 0.31
HTR1F P30939 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
SCHEMBL19981742 1.00 MELK (0.34) MELKBTKF10KCNH2ABL1
SCHEMBL19981938 0.92 MELK (0.33) MELKBTK
SCHEMBL19981947 0.86 BTK (0.36) MELKBTKKCNH2ABL1HTR1F
SCHEMBL19981860 0.86 BTK (0.36) MELKBTKKCNH2ABL1HTR1F
SCHEMBL19981922 0.86 BTK (0.36) MELKBTKKCNH2ABL1HTR1F
SCHEMBL9984623 0.77 BTK (0.48) MELKBTK
SCHEMBL9984930 0.77 BTK (0.48) MELKBTK
SCHEMBL9985008 0.77 BTK (0.48) MELKBTK
SCHEMBL2464118 0.77 BTK (0.48) MELKBTK
SCHEMBL2468755 0.77 BTK (0.48) MELKBTK

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