SCHEMBL4614003

SCHEMBL4614003

FC1(F)CCC(Nc2cc[nH]c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 19/20 0.38
IDH2 P48735 7/20 0.37
POLB P06746 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
SCHEMBL6534113 0.83
SCHEMBL29883407 0.75 ADORA2A (0.38) POLB
SCHEMBL4613663 0.75 ADORA2A (0.38) POLB
SCHEMBL4613841 0.75 POLB (0.59) IDH2POLB
SCHEMBL4612918 0.75 POLB (0.39) POLB
SCHEMBL29884529 0.75 MAPK1 (0.42) POLB
SCHEMBL21356705 0.72 HRH3 (0.36) POLB
SCHEMBL23609130 0.71 IDH1 (0.43) IDH1IDH2POLB
SCHEMBL12082316 0.71 IDH1 (0.44) IDH1IDH2POLB
SCHEMBL698932 0.71 IDH1 (0.39) IDH1IDH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed