SCHEMBL14933856

SCHEMBL14933856

Cn1cc(Br)cc(Nc2ccc(I)cn2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.35
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CLK2 P49760 1/20 0.33
MAP2K1 Q02750 5/20 0.32
RXFP1 Q9HBX9 1/20 0.32
APP P05067 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
SCHEMBL12602969 0.85 BTK (0.46) BTKALDH1A1
SCHEMBL1725758 0.84 BTK (0.39) BTKMAPK14MAP2K1RXFP1
SCHEMBL10255868 0.84 MAPK14 (0.47) BTKMAPK14MAP2K1
SCHEMBL13186833 0.82 BTK (0.34) BTKMAPK14ALDH1A1CLK2RXFP1
SCHEMBL21017744 0.82 NPC1 (0.36) BTKMAPK14ALDH1A1MAP2K1RXFP1
SCHEMBL24374769 0.82 BTK (0.43) BTK
SCHEMBL14696131 0.81 HCAR3 (0.47) BTKRXFP1
SCHEMBL29741941 0.81 JAK2 (0.38) BTKALDH1A1
SCHEMBL14912788 0.81 JAK2 (0.38) BTKALDH1A1
SCHEMBL10256657 0.81 BTK (0.38) BTKCLK2

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-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed