SCHEMBL19981804

SCHEMBL19981804

O=C1CN/N=C(/c2ccc(F)c(NC(=O)c3cc4ccccc4s3)c2)C/C=C\1Nc1ccc(C2CNC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.40
BCL6 P41182 1/20 0.36
HDAC1 Q13547 1/20 0.36
TMIGD3 P0DMS9 3/20 0.33
ADORA1 P30542 3/20 0.33
ADORA2A P29274 1/20 0.33
FGR P09769 1/20 0.32
SRC P12931 1/20 0.32
TEC P42680 1/20 0.32
BMX P51813 1/20 0.32
DHPS P49366 1/20 0.32
JAK2 O60674 1/20 0.31
F10 P00742 1/20 0.31
STAT1 P42224 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
HDAC2 Q92769 3/20 0.31
KIT P10721 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
SCHEMBL19981722 0.81 BTK (0.46) BTKBCL6FGRSRCTEC
SCHEMBL2467544 0.80 BTK (0.62) BTKBCL6HDAC1TMIGD3ADORA1
SCHEMBL9985071 0.76 BTK (0.41) BTKBCL6HDAC1TMIGD3ADORA1
SCHEMBL2461953 0.73 BTK (0.66) BTKBCL6HDAC1TMIGD3ADORA1
SCHEMBL2461862 0.71 BTK (0.67) BTKBCL6FGRSRCTEC
SCHEMBL2491555 0.68 BTK (0.64) BTKBCL6FGRSRCTEC
SCHEMBL2462150 0.68 BTK (0.64) BTKBCL6FGRSRCTEC
SCHEMBL2462161 0.66 BTK (0.63) BTKBCL6HDAC1TMIGD3ADORA1
SCHEMBL2519798 0.66 BTK (0.58) BTKBCL6HDAC1TMIGD3ADORA1
SCHEMBL2463870 0.65 BTK (0.61) BTKBCL6HDAC1TMIGD3ADORA1

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