SCHEMBL19981738

SCHEMBL19981738

CC(C)(C)c1ccc(CNc2cc(-c3cc(Nc4ccncn4)c(=O)[nH]n3)ccc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.37
GSK3B P49841 3/20 0.36
GSK3A P49840 2/20 0.36
DYRK1A Q13627 2/20 0.36
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAPK14 Q16539 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
ACP1 P24666 1/20 0.34
F2 P00734 1/20 0.34
MPL P40238 2/20 0.34
KIT P10721 1/20 0.33
SRC P12931 1/20 0.33
FLT3 P36888 1/20 0.33
ITK Q08881 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL2459218 0.85 KIT (0.48) BTKMAPK14NR1H4MPLKIT
SCHEMBL13363419 0.84 BTK (0.36) BTKGSK3BGSK3ADYRK1AMKNK1
SCHEMBL2466471 0.81 BTK (0.45) BTKGSK3BGSK3ADYRK1AMKNK1
SCHEMBL12045170 0.77 GSK3A (0.41) BTKGSK3BGSK3ADYRK1AMKNK1
SCHEMBL9985149 0.76 BTK (0.43) BTKMPLKITSRCFLT3
SCHEMBL2461976 0.76 BTK (0.50) BTKGSK3BGSK3ADYRK1AMKNK1
SCHEMBL13363418 0.76 BTK (0.38) BTKGSK3BGSK3ADYRK1AMKNK1
SCHEMBL2464518 0.76 BTK (0.44) BTKGSK3BMAPK14NR1H4KIT
SCHEMBL2464530 0.74 MPL (0.43) BTKMPLKITSRCFLT3
SCHEMBL2462052 0.72 BTK (0.64) BTKMPLSRC

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