SCHEMBL6470026

SCHEMBL6470026

COc1cc2c([AsH]c3ccc4cccoc3-4)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.57
KDR P35968 5/20 0.48
KIT P10721 2/20 0.48
FGFR1 P11362 3/20 0.47
FLT1 P17948 3/20 0.47
FLT4 P35916 3/20 0.47
SRC P12931 2/20 0.47
PDGFRB P09619 2/20 0.47
TEK Q02763 2/20 0.47
BMPR1B O00238 1/20 0.47
PLK4 O00444 1/20 0.47
CIT O14578 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
RIPK2 O43353 1/20 0.47
ROCK2 O75116 1/20 0.47
STK10 O94804 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
ERBB2 P04626 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
SCHEMBL6470023 0.84 EGFR (0.53) EGFRKDRKITFGFR1FLT1
SCHEMBL3671971 0.82 EGFR (0.71) EGFRKDRKITFGFR1FLT1
SCHEMBL30393893 0.72 EGFR (0.64) EGFRKDRKITFGFR1FLT1
SCHEMBL30017110 0.72 EGFR (0.66) EGFRKDRKITFGFR1FLT1
SCHEMBL21473570 0.72 EGFR (0.61) EGFRKDRKITFGFR1FLT1
SCHEMBL1613217 0.72 EGFR (0.66) EGFRKDRKITFGFR1FLT1
SCHEMBL4417734 0.72 EGFR (0.61) EGFRKDRKITFGFR1FLT1
SCHEMBL3669683 0.72 EGFR (0.69) EGFRKDRKITFGFR1FLT1
SCHEMBL4552440 0.71 EGFR (0.70) EGFRKDRKITFGFR1FLT1
SCHEMBL3671968 0.70 EGFR (0.69) EGFRKDRKITFGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO claimed
EP-1562612-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE Astrazeneca AB (SE) 2005-08-17 EP disclosed
WO-2004043472-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
EP-1326859-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO disclosed