SCHEMBL22650745

SCHEMBL22650745

Cc1nc2c(Cl)nc(Cl)cc2n1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.35
LMNA P02545 1/20 0.31
DAPK1 P53355 1/20 0.31
CSNK1E P49674 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK5R1 Q15078 1/20 0.31
DYRK2 Q92630 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK4 Q9NR20 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
PLK4 O00444 1/20 0.30

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
SCHEMBL29491153 1.00 DCTPP1 (0.35) DCTPP1LMNADAPK1CSNK1ECLK1
SCHEMBL22650743 0.81 DAPK1 (0.33) DCTPP1LMNADAPK1
SCHEMBL29491180 0.81 DAPK1 (0.33) DCTPP1LMNADAPK1
SCHEMBL24401874 0.78 KDM4E (0.39) LMNA
SCHEMBL23598167 0.71 DCTPP1 (0.39) DCTPP1DAPK1CSNK1ECLK1CLK2
SCHEMBL19366625 0.71 DCTPP1 (0.36) DCTPP1DAPK1CSNK1ECLK1CLK2
SCHEMBL21122393 0.69 DCTPP1 (0.40) DCTPP1LMNADAPK1CSNK1ECLK1
SCHEMBL21522868 0.69 NQO2 (0.38) DCTPP1DAPK1CSNK1ECLK1CLK2
SCHEMBL2359208 0.69 SMN1; SMN2 (0.47) CDK5DYRK1ACDK5R1
SCHEMBL30888966 0.69 NQO2 (0.38) DCTPP1DAPK1CSNK1ECLK1CLK2

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed