SCHEMBL20305447

SCHEMBL20305447

COc1ccc(CNc2nccc(CCl)c2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 5/20 0.52
CLK1 P49759 3/20 0.52
CLK2 P49760 2/20 0.52
DYRK1A Q13627 2/20 0.52
DYRK1B Q9Y463 2/20 0.52
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.48
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
EGFR P00533 1/20 0.46
POLB P06746 1/20 0.46
NR2F2 P24468 1/20 0.46
P2RX7 Q99572 1/20 0.46
PDE5A O76074 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL19641069 0.88 CLK4 (0.51) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL20305610 0.85 CLK4 (0.48) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL27082684 0.82 CLK4 (0.50) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL30835347 0.82 CLK4 (0.50) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL30133420 0.82 CLK4 (0.50) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL27082731 0.82 CLK4 (0.50) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL26920300 0.81 CLK4 (0.49) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL19641279 0.79 NPC1 (0.50) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL30835278 0.76 NPC1 (0.62) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL26920513 0.76 CLK4 (0.45) CLK4CLK1CLK2DYRK1ADYRK1B

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-2018119387-A1 SMALL MOLECULE INHIBITORS OF COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) AND USES THEREOF TESARO, INC. (US) 2018-06-28 WO disclosed