SCHEMBL13075596

SCHEMBL13075596

C=C/C(c1cc(C(=O)C(=C)Nc2cc(N3CCC(N(C)C)CC3)ccc2N)ccc1OC)=c1/cccc/c1=C/N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.41
ALK Q9UM73 3/20 0.41
PLK1 P53350 2/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
BTK Q06187 6/20 0.35
CTSC P53634 1/20 0.35
STAT3 P40763 1/20 0.34
AURKA O14965 1/20 0.34
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
ROS1 P08922 1/20 0.34
EML4 Q9HC35 1/20 0.34

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
SCHEMBL13076190 0.77 CDK4 (0.51) EGFRALKPLK1FGFR1BTK
SCHEMBL23606812 0.72 FGFR4 (0.49) EGFRFGFR1FGFR2FGFR4FGFR3
SCHEMBL13076192 0.69 CDK4 (0.46) EGFRALKPLK1
SCHEMBL30044654 0.65 FYN (0.43) EGFRALKSTAT3
SCHEMBL21596984 0.65 FYN (0.43) EGFRALKSTAT3
SCHEMBL310055 0.64 SUV39H2 (0.45) EGFRALKPLK1STAT3AURKA
SCHEMBL29661369 0.64 SUV39H2 (0.45) EGFRALKPLK1STAT3AURKA
SCHEMBL24603026 0.64 SUV39H2 (0.45) EGFRALKPLK1STAT3AURKA
Hydrochloric Acid SCHEMBL29367159 0.63 SUV39H2 (0.44) EGFRALKPLK1STAT3AURKA
SCHEMBL17059200 0.62 EGFR (0.59) EGFR

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-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO disclosed