SCHEMBL5678947

SCHEMBL5678947

O=c1[nH]cnc2cc(OCCC3CNCCN3)cc(OC3CCOCC3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.36
SRC P12931 16/20 0.34
KDR P35968 12/20 0.34
LRRK2 Q5S007 1/20 0.33
LCK P06239 2/20 0.33
YES1 P07947 2/20 0.33
CSK P41240 2/20 0.33
FGFR1 P11362 1/20 0.33
AURKB Q96GD4 1/20 0.33
BMPR1B O00238 1/20 0.32
GAK O14976 1/20 0.32
EPHB6 O15197 1/20 0.32
RIPK2 O43353 1/20 0.32
STK10 O94804 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
FYN P06241 1/20 0.32
LYN P07948 1/20 0.32
RET P07949 1/20 0.32
HCK P08631 1/20 0.32

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
SCHEMBL28343815 0.83 EGFR (0.36) EGFRSRCKDRLRRK2LCK
SCHEMBL5683268 0.81 SYK (0.32) AURKB
SCHEMBL3195404 0.80 SRC (0.47) EGFRSRCKDRLCKYES1
SCHEMBL16747707 0.79 SRC (0.44) EGFRSRCKDRLCKYES1
SCHEMBL18128968 0.79 EGFR (0.40) EGFRSRCKDRLRRK2LCK
SCHEMBL16747789 0.79 SRC (0.49) EGFRSRCKDRLCKYES1
SCHEMBL16747709 0.79 EGFR (0.49) EGFRSRCKDRLRRK2LCK
SCHEMBL16742200 0.78 SRC (0.53) EGFRSRCKDRLCKYES1
SCHEMBL1015994 0.77 EGFR (0.48) EGFRSRCKDRLRRK2
SCHEMBL16742334 0.77 SRC (0.53) EGFRSRCKDRLCKYES1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620104-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE Astrazeneca AB (SE) 2006-02-01 EP disclosed
EP-1562955-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2005-08-17 EP disclosed
WO-2004108711-A1 PYRAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO disclosed
WO-2004108710-A1 4-PYRIMIDINYL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO disclosed
WO-2004098604-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE ASTRAZENECA AB (SE) 2004-11-18 WO disclosed
WO-2004081000-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-23 WO disclosed
WO-2004056812-A1 4- (PYRIDIN-4-YLAMINO) -QUINAZOLINE DERIVATIVES AS ANTI-TUMOR AGENTS ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004056801-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO disclosed