SCHEMBL5496069

SCHEMBL5496069

O=C(O)NCCC(=O)Nc1ccc2ncnc(NCCc3ccccc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.68
FYN P06241 1/20 0.68
AURKA O14965 4/20 0.57
EGFR P00533 4/20 0.54
HTT P42858 3/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.54
APP P05067 1/20 0.54
CCNC P24863 1/20 0.53
CDKN1A P38936 1/20 0.53
CDK8 P49336 1/20 0.53
CDK19 Q9BWU1 1/20 0.53
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3R1 P27986 1/20 0.49
DYRK1A Q13627 1/20 0.48
NTRK1 P04629 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
BTK Q06187 1/20 0.47

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
SCHEMBL5499111 0.90 SRC (0.71) SRCFYNAURKAEGFRHTT
SCHEMBL5496213 0.89 FYN (0.80) SRCFYNAURKAEGFRHTT
SCHEMBL5494041 0.88 SRC (0.61) SRCFYNAURKAEGFRHTT
SCHEMBL2254339 0.82 FYN (0.64) SRCFYNEGFRMAPK1LMNA
SCHEMBL2249373 0.80 EGFR (0.55) EGFRLMNADYRK1A
SCHEMBL2250296 0.79 AURKB (0.56) SRCFYNAURKAEGFRBTK
SCHEMBL28523554 0.76 FYN (0.58) SRCFYNAURKAEGFRHTT
SCHEMBL2249277 0.76 ERBB2 (0.61) EGFRMAPK1LMNA
SCHEMBL2250814 0.75 EGFR (0.68) EGFR
SCHEMBL4741967 0.75 HTT (0.70) SRCFYNAURKAEGFRHTT

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
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP disclosed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO disclosed