SCHEMBL19981741

SCHEMBL19981741

Cc1cc(F)c(NC(=O)c2cc3ccccc3s2)cc1-c1cc(Nc2cc(N)n(C)n2)c(=O)n(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.47
FGR P09769 1/20 0.45
SRC P12931 1/20 0.45
TEC P42680 1/20 0.45
BMX P51813 1/20 0.45
F10 P00742 1/20 0.39
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38
STAT1 P42224 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
HDAC2 Q92769 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL2461901 0.87 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL2462334 0.80 BTK (0.57) BTKFGRSRCTECBMX
SCHEMBL2495810 0.76 BTK (0.57) BTKFGRSRCTECBMX
SCHEMBL9984618 0.76 BTK (0.75) BTKFGRSRCTECBMX
SCHEMBL9983854 0.74 BTK (0.80) BTKFGRSRCTECBMX
SCHEMBL2491721 0.73 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL2490309 0.73 BTK (0.56) BTKFGRSRCTECBMX
SCHEMBL2489879 0.72 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL2492216 0.72 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL9985372 0.72 BTK (0.55) BTKFGRSRCTECBMX

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