SCHEMBL6528725

SCHEMBL6528725

COc1cc2c([AsH]c3cccc4cc[nH]c34)ncnc2cc1OCCCN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.60
▸ EHMT2 Q96KQ7 4/20 0.49
▸ EHMT1 Q9H9B1 4/20 0.49
▸ TLR9 Q9NR96 2/20 0.49
▸ TLR7 Q9NYK1 2/20 0.49
▸ KDR P35968 6/20 0.47
▸ EGFR P00533 4/20 0.47
▸ KIT P10721 3/20 0.47
▸ FLT4 P35916 3/20 0.47
▸ PDGFRB P09619 2/20 0.47
▸ TEK Q02763 2/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ EPHB6 O15197 1/20 0.47
▸ RIPK2 O43353 1/20 0.47
▸ ERN1 O75460 1/20 0.47
▸ STK10 O94804 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
SCHEMBL6531933 0.93 SRC (0.70) SRCKDREGFR
SCHEMBL3674907 0.82 SRC (0.86) SRCKDREGFRFLT4TEK
SCHEMBL3680459 0.81 SRC (0.85) SRCKDREGFRFLT4TEK
SCHEMBL3730315 0.76 SRC (0.85) SRCKDREGFRFLT4PDGFRB
SCHEMBL4378567 0.75 ABCB11 (0.64) SRCEHMT2EHMT1TLR9TLR7
SCHEMBL3677246 0.75 SRC (1.00) SRCKDREGFRFLT4FGFR1
SCHEMBL4380404 0.74 FLT4 (0.63) SRCKDREGFRKITFLT4
SCHEMBL3671373 0.74 SRC (0.80) SRCKDREGFRFLT4FGFR1
SCHEMBL4383740 0.73 RET (0.75) SRCKDREGFRKITFLT4
SCHEMBL4381975 0.73 ABCB11 (0.62) SRCKDREGFRKITFLT4

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-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
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