SCHEMBL6463012

SCHEMBL6463012

c1ncc2c(OC3CCOCC3)cc(OCCC3CCCN3)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.39
KDR P35968 13/20 0.39
EGFR P00533 4/20 0.38
LCK P06239 2/20 0.37
YES1 P07947 2/20 0.37
CSK P41240 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
FGFR1 P11362 1/20 0.37
AURKB Q96GD4 1/20 0.37
BMPR1B O00238 1/20 0.35
GAK O14976 1/20 0.35
EPHB6 O15197 1/20 0.35
RIPK2 O43353 1/20 0.35
STK10 O94804 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
FYN P06241 1/20 0.35
LYN P07948 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL6970862 0.84 SRC (0.47) SRCKDREGFRLCKYES1
SCHEMBL6387383 0.81 SRC (0.45) SRCKDREGFRLCKYES1
SCHEMBL4594558 0.78 SRC (0.55) SRCKDREGFRLCKYES1
SCHEMBL6966011 0.75 SRC (0.41) SRCKDREGFRLCKYES1
SCHEMBL5735755 0.74 SRC (0.59) SRCKDREGFRLCKYES1
SCHEMBL7689206 0.73 EGFR (0.47) EGFRCHRNB2CHRNA4AURKB
SCHEMBL13638737 0.72 EGFR (0.42) EGFR
SCHEMBL7097966 0.71 CHRNA3 (0.49) CHRNB2CHRNA4
SCHEMBL5747605 0.69 EGFR (0.39) SRCEGFRLCKKITACVR1B
SCHEMBL6978768 0.69 SRC (0.44) SRCKDREGFRLCKYES1

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