SCHEMBL7800405

SCHEMBL7800405

COc1cc2cnc(Nc3cccc(I)c3)nc2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.56
ABCG2 Q9UNQ0 5/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
MEN1 O00255 1/20 0.45
RAD52 P43351 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SYK P43405 1/20 0.43
FBP1 P09467 1/20 0.43
MAP3K5 Q99683 1/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
ERBB2 P04626 1/20 0.42
ERBB4 Q15303 1/20 0.42

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
SCHEMBL7757002 0.85 PDGFRB (0.59) EGFRMAPTPDGFRBPDGFRAKDM4E
SCHEMBL7753469 0.85 FGFR1 (0.56) EGFRABCG2TP53MAPTPOLB
SCHEMBL28221880 0.85 PDGFRB (0.64) EGFRABCG2TP53MAPTPDGFRB
SCHEMBL7799220 0.85 ABCG2 (0.65) EGFRABCG2MAPTKDM4EFBP1
SCHEMBL8812882 0.83 PDGFRB (0.57) EGFRTP53MAPTPOLBPDGFRB
SCHEMBL7801689 0.81 ABCG2 (0.67) EGFRABCG2MAPTKDM4EERBB2
SCHEMBL7801622 0.80 SYK (0.60) EGFRABCG2SYKCDK2USP2
SCHEMBL27565491 0.79 KDM4E (0.49) ABCG2TP53MAPTPOLBPDGFRB
SCHEMBL4587365 0.78 MAP3K5 (0.61) EGFRABCG2SYKMAP3K5
SCHEMBL7791014 0.78 C1R (0.51) EGFRMAPTPDGFRBPDGFRAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1162974-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP disclosed
EP-1163228-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP disclosed
WO-2000056338-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed
WO-2000056720-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed