SCHEMBL19981965

SCHEMBL19981965

CNNc1cc2n(n1)CCOC2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.48
SYK P43405 9/20 0.38
BTK Q06187 4/20 0.36
TYK2 P29597 3/20 0.35
MAP3K14 Q99558 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21008492 0.83 LRRK2 (0.47) LRRK2SYKBTKTYK2MAP3K14
SCHEMBL22290756 0.75 LRRK2 (0.38) LRRK2SYK
SCHEMBL23541137 0.74 LRRK2 (0.41) LRRK2SYKBTKTYK2MAP3K14
SCHEMBL254839 0.73 LRRK2 (0.39) LRRK2SYKALDH1A1
SCHEMBL23562583 0.73 LRRK2 (0.41) LRRK2SYKBTKTYK2MAP3K14
SCHEMBL1392881 0.72 LRRK2 (0.38) LRRK2SYK
SCHEMBL16335331 0.72 LRRK2 (0.38) LRRK2SYKALDH1A1
SCHEMBL24958761 0.71 LRRK2 (0.36) LRRK2
SCHEMBL14925521 0.70 LRRK2 (0.37) LRRK2SYK
SCHEMBL1392754 0.70 BTK (0.45) LRRK2SYKBTKTYK2

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