SCHEMBL19981790

SCHEMBL19981790

Cc1ccc(-c2cc(Nc3ccc(N4CCN(C)CC4)cn3)c(=O)[nH]n2)c(Cl)c1NC(=O)c1cc2c(s1)=CCCC=2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.49
FGR P09769 1/20 0.44
SRC P12931 1/20 0.44
TEC P42680 1/20 0.44
BMX P51813 1/20 0.44
CCND3 P30281 3/20 0.37
CDK6 Q00534 3/20 0.37
CCNK O75909 2/20 0.37
CDK9 P50750 2/20 0.37
CCNT1 O60563 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAP4K1 Q92918 5/20 0.36
F10 P00742 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
SCHEMBL9984996 0.88 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL2492024 0.73 BTK (0.56) BTKFGRSRCTECBMX
SCHEMBL2464982 0.72 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL2462583 0.72 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2492037 0.72 BTK (0.59) BTKFGRSRCTECBMX
SCHEMBL2491658 0.71 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL19981677 0.71 BTK (0.60) BTKFGRSRCTECBMX
SCHEMBL1423507 0.70 BTK (0.51) BTKFGRTECBMX
SCHEMBL2488701 0.70 BTK (0.70) BTKFGRSRCTECBMX
SCHEMBL13626138 0.69 BTK (0.51) BTKFGRTECBMX

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