SCHEMBL7574178

SCHEMBL7574178

COc1ccc(Cl)c(Nc2ncnc3cc(OCCOc4ccncc4)c(OC)cc23)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.77
KDR P35968 15/20 0.66
RET P07949 2/20 0.60
KIF5B P33176 2/20 0.60
HDAC3 O15379 5/20 0.58
HDAC4 P56524 5/20 0.58
HDAC1 Q13547 5/20 0.58
HDAC7 Q8WUI4 5/20 0.58
HDAC2 Q92769 5/20 0.58
HDAC10 Q969S8 5/20 0.58
HDAC11 Q96DB2 5/20 0.58
HDAC8 Q9BY41 5/20 0.58
HDAC6 Q9UBN7 5/20 0.58
HDAC9 Q9UKV0 5/20 0.58
HDAC5 Q9UQL6 5/20 0.58
ERBB2 P04626 1/20 0.58
EPHA2 P29317 1/20 0.58
EGFR P00533 3/20 0.56
RIPK2 O43353 1/20 0.56
NOD1 Q9Y239 1/20 0.56

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
SCHEMBL7456204 0.83 FLT1 (0.81) KDREGFRFLT1FGFR1FLT4
SCHEMBL7573786 0.82 SRC (0.80) SRCKDRRETKIF5BERBB2
SCHEMBL3193735 0.81 KDR (0.77) SRCKDREPHA2EGFRFLT1
SCHEMBL3203336 0.81 KDR (0.84) SRCKDRERBB2EGFRFLT1
SCHEMBL7454646 0.80 FLT1 (0.78) KDREGFRFLT1FGFR1FLT4
SCHEMBL3193440 0.80 SRC (0.92) SRCKDREPHA2EGFRFLT1
Hydrochloric Acid SCHEMBL7573245 0.80 KDR (0.83) SRCKDRERBB2EGFRFLT1
SCHEMBL7580350 0.80 SRC (0.76) SRCKDRRETKIF5BERBB2
SCHEMBL7580342 0.80 SRC (0.76) SRCKDRRETKIF5BERBB2
SCHEMBL7572205 0.80 SRC (0.76) SRCKDRRETKIF5BERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed