SCHEMBL7572116

SCHEMBL7572116

COc1ccc(Br)c(Nc2ncnc3cc(OCc4ccccc4)c(OC)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.66
SRC P12931 2/20 0.61
ERBB2 P04626 1/20 0.58
HDAC3 O15379 4/20 0.56
HDAC4 P56524 4/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC7 Q8WUI4 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC10 Q969S8 4/20 0.56
HDAC11 Q96DB2 4/20 0.56
HDAC8 Q9BY41 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
HDAC9 Q9UKV0 4/20 0.56
HDAC5 Q9UQL6 4/20 0.56
RET P07949 3/20 0.56
KDR P35968 3/20 0.56
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL7573786 0.88 SRC (0.80) EGFRSRCERBB2RETKDR
SCHEMBL18158243 0.85 EGFR (0.72) EGFRSRCRETKDRRIPK2
SCHEMBL159652 0.82 KDR (0.80) EGFRSRCERBB2RETKDR
SCHEMBL30891782 0.82 EGFR (0.83) EGFRSRCERBB2RETKDR
SCHEMBL7572715 0.82 KDR (0.59) EGFRSRCERBB2KDRFLT1
SCHEMBL7572708 0.82 KDR (0.59) EGFRSRCERBB2KDRFLT1
Hydrochloric Acid SCHEMBL1468204 0.81 KDR (0.78) EGFRSRCERBB2RETKDR
SCHEMBL242224 0.81 EGFR (0.78) EGFRERBB2RETKDRRIPK2
SCHEMBL30141491 0.81 EGFR (0.78) EGFRERBB2RETKDRRIPK2
SCHEMBL7575453 0.81 SRC (0.61) EGFRSRCRETKDRRIPK2

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