SCHEMBL3246734

SCHEMBL3246734

Clc1ccc(-c2nn(C3CC[N]CC3)c3ccncc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.45
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL1921697 0.86 BTK (0.45) BTKEGFRLCK
SCHEMBL12354529 0.86 BTK (0.45) BTKEGFRLCK
SCHEMBL1922018 0.85 BTK (0.53) BTKEGFRLCK
SCHEMBL1921672 0.82 BTK (0.47) BTKEGFRLCK
SCHEMBL1921902 0.82 BTK (0.46) BTKEGFRLCK
SCHEMBL1923126 0.81 KDM4C (0.51) BTKEGFRLCK
SCHEMBL1921470 0.81 KDM4C (0.51) BTKEGFRLCK
SCHEMBL12354530 0.81 KDM4C (0.51) BTKEGFRLCK
SCHEMBL1921723 0.81 BTK (0.60) BTKEGFRLCK
SCHEMBL1921594 0.80 BTK (0.56) BTKEGFRLCK

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
WO-2010031791-A1 NEW COMPOUNDS II BIOVITRUM AB (PUBL) (SE) 2010-03-25 WO disclosed