SCHEMBL5494041

SCHEMBL5494041

CS(=O)(=O)CC(=O)NCCC(=O)Nc1ccc2ncnc(NCCc3ccccc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.61
FYN P06241 1/20 0.61
AURKA O14965 6/20 0.51
CCNC P24863 1/20 0.48
CDKN1A P38936 1/20 0.48
CDK8 P49336 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
EGFR P00533 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
APP P05067 1/20 0.47
HTT P42858 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3R1 P27986 1/20 0.46

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
SCHEMBL5496069 0.88 SRC (0.68) SRCFYNAURKACCNCCDKN1A
SCHEMBL2248251 0.85 FYN (0.58) SRCFYNEGFRMAPK1LMNA
SCHEMBL5499111 0.84 SRC (0.71) SRCFYNAURKACCNCCDKN1A
SCHEMBL5496213 0.84 FYN (0.80) SRCFYNAURKACCNCCDKN1A
SCHEMBL2249929 0.83 EGFR (0.51) EGFRLMNADYRK1A
SCHEMBL2251058 0.82 AURKB (0.53) SRCFYNAURKAEGFRLMNA
SCHEMBL2248227 0.79 ERBB2 (0.60) EGFRMAPK1LMNACYP1A2CYP3A4
SCHEMBL5494040 0.78 EGFR (0.44) SRCFYNEGFRMAPK1LMNA
SCHEMBL2248288 0.77 EGFR (0.65) EGFR
SCHEMBL2250352 0.75 EGFR (0.72) SRCEGFRCYP3A4

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