SCHEMBL19981922

SCHEMBL19981922

CN1CCC[C@H]1c1ccc(N/C(=C/C(=N)c2ccc(F)c(NC(=O)c3cc4c(s3)CC[C@@H](O)C4)c2)C(N)=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MELK Q14680 2/20 0.34
HTR1F P30939 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31
ABL1 P00519 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL19981860 1.00 BTK (0.36) BTKLMNAMAPTKDM4EALDH1A1
SCHEMBL19981947 1.00 BTK (0.36) BTKLMNAMAPTKDM4EALDH1A1
SCHEMBL19981742 0.86 MELK (0.34) BTKMELKHTR1FABL1KCNH2
SCHEMBL19981970 0.86 MELK (0.34) BTKMELKHTR1FABL1KCNH2
SCHEMBL19981938 0.84 MELK (0.33) BTKMELK
SCHEMBL2462198 0.77 BTK (0.48) BTKMELK
SCHEMBL2462193 0.77 BTK (0.48) BTKMELK
SCHEMBL9984873 0.77 BTK (0.48) BTKMELK
SCHEMBL9984459 0.77 BTK (0.48) BTKMELK
SCHEMBL9985028 0.77 BTK (0.48) BTKMELK

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