SCHEMBL1675360

SCHEMBL1675360

COc1ccc(-c2ccc3ncnc(NCCc4c[nH]cn4)c3c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 13/20 0.57
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
MAPK1 P28482 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
STAT3 P40763 1/20 0.54
APP P05067 1/20 0.53
CYP1A2 P05177 13/20 0.50
CYP3A4 P08684 12/20 0.50
CYP2D6 P10635 12/20 0.50
CYP2C19 P33261 11/20 0.50
LMNA P02545 8/20 0.50
ALDH1A1 P00352 8/20 0.50
HSD17B10 Q99714 6/20 0.50
TSHR P16473 5/20 0.50
USP2 O75604 9/20 0.49
CYP2C9 P11712 7/20 0.49
TP53 P04637 2/20 0.49
HIF1A Q16665 2/20 0.49
RAF1 P04049 1/20 0.48

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
SCHEMBL1675044 0.92 CLK4 (0.51) CLK4MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL4354805 0.81 CLK4 (0.64) CLK4MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL1675157 0.80 CLK4 (0.62) CLK4MEN1KMT2AMAPK1CYP1A2
SCHEMBL4356845 0.79 CLK4 (0.62) CLK4MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL1675205 0.79 CLK4 (0.68) CLK4MEN1KMT2AMAPK1CYP1A2
SCHEMBL4355619 0.78 CLK4 (0.61) CLK4MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL1675238 0.78 CLK1 (0.58) CLK4MEN1KMT2AMAPK1CYP1A2
SCHEMBL1675090 0.78 CLK1 (0.41) CLK4MEN1KMT2AMAPK1CYP1A2
SCHEMBL1675270 0.76 CLK4 (0.60) CLK4MEN1KMT2AMAPK1CYP1A2
SCHEMBL1675497 0.76 CLK4 (0.45) CLK4MEN1KMT2AMAPK1CYP1A2

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