SCHEMBL19981745

SCHEMBL19981745

CC1(C)CCN(c2ccc(Nc3cc(-c4ccc(F)c(NC(=O)c5cc6ccccc6s5)c4)n[nH]c3=O)nc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.64
FGR P09769 1/20 0.51
SRC P12931 1/20 0.51
TEC P42680 1/20 0.51
BMX P51813 1/20 0.51
TYK2 P29597 3/20 0.39
JAK2 O60674 3/20 0.39
BCL6 P41182 1/20 0.39
HDAC1 Q13547 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK6 Q00534 1/20 0.37

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
SCHEMBL2492489 0.95 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2488701 0.93 BTK (0.70) BTKFGRSRCTECBMX
SCHEMBL2491750 0.93 BTK (0.62) BTKFGRSRCTECBMX
SCHEMBL2493665 0.86 BTK (0.60) BTKFGRSRCTECBMX
SCHEMBL2462161 0.84 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2491712 0.84 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2461862 0.84 BTK (0.67) BTKFGRSRCTECBMX
SCHEMBL9986674 0.83 BTK (0.62) BTKFGRSRCTECBMX
SCHEMBL2461953 0.83 BTK (0.66) BTKFGRSRCTECBMX
SCHEMBL2462150 0.83 BTK (0.64) 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