SCHEMBL1675283

SCHEMBL1675283

Cc1nc(-c2ccccc2)oc1-c1ccc2ncnc(NCc3ncc[nH]3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 12/20 0.56
DYRK1A Q13627 2/20 0.56
CLK1 P49759 1/20 0.56
CLK2 P49760 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
LMNA P02545 8/20 0.47
CYP1A2 P05177 7/20 0.46
CYP3A4 P08684 7/20 0.46
CYP2D6 P10635 7/20 0.46
ALDH1A1 P00352 6/20 0.46
CYP2C19 P33261 6/20 0.46
HIF1A Q16665 6/20 0.46
HSD17B10 Q99714 6/20 0.46
MAPK1 P28482 5/20 0.46
TSHR P16473 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 5/20 0.45
TDP1 Q9NUW8 3/20 0.45

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
SCHEMBL1675136 0.82 LMNA (0.61) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675022 0.81 CLK1 (0.64) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675315 0.77 CLK4 (0.59) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675348 0.77 DYRK1A (0.43) CLK4DYRK1ALMNACYP1A2CYP3A4
SCHEMBL1675338 0.75 CLK1 (0.66) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675040 0.74 CLK4 (0.68) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675298 0.73 CLK4 (0.67) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675106 0.72 CLK4 (1.00) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675323 0.72 CLK4 (0.53) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675116 0.71 CLK4 (0.72) CLK4DYRK1ACLK1CLK2DYRK1B

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
WO-2011041655-A1 QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-04-07 WO claimed
WO-2011041655-A1 QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-04-07 WO disclosed