SCHEMBL19981898

SCHEMBL19981898

CN1CCCc2cc(Nc3cc(N4CCCCC4)nn(C)c3=O)nn2CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.36
TYK2 P29597 2/20 0.35
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
HRH4 Q9H3N8 5/20 0.32
BRPF1 P55201 1/20 0.31

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
SCHEMBL19981572 0.89 BTK (0.44) BTK
SCHEMBL19981933 0.89 BTK (0.44) BTK
SCHEMBL19981559 0.78 BTK (0.41) BTK
SCHEMBL2488047 0.72 SYK (0.37) BTK
SCHEMBL10262845 0.71 BTK (0.49) BTK
SCHEMBL16357030 0.71 BTK (0.47) BTK
SCHEMBL2492299 0.69 BTK (0.47) BTK
SCHEMBL13303603 0.69 SYK (0.48) BTK
SCHEMBL14929644 0.68 BTK (0.44) BTK
SCHEMBL10255860 0.65 TYK2 (0.47) BTKTYK2

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