SCHEMBL7801689

SCHEMBL7801689

COc1cc2cnc(Nc3cccc(C(F)(F)F)c3)nc2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.67
EGFR P00533 2/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
ERBB2 P04626 1/20 0.55
IDH2 P48735 2/20 0.53
BRAF P15056 1/20 0.52
AURKA O14965 1/20 0.52
CTSC P53634 6/20 0.52
PTK2 Q05397 1/20 0.52
KDM4E B2RXH2 1/20 0.51
APP P05067 1/20 0.51
RAF1 P04049 1/20 0.49

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
SCHEMBL7801622 0.84 SYK (0.60) ABCG2EGFRBRAFCTSC
SCHEMBL7757002 0.82 PDGFRB (0.59) EGFRMAPTBRAFAURKAKDM4E
SCHEMBL7800405 0.81 EGFR (0.56) ABCG2EGFRMAPTERBB2KDM4E
SCHEMBL7799220 0.81 ABCG2 (0.65) ABCG2EGFRMAPTMAPK1ERBB2
SCHEMBL7753469 0.81 FGFR1 (0.56) ABCG2EGFRMAPTERBB2BRAF
SCHEMBL28221880 0.81 PDGFRB (0.64) ABCG2EGFRLMNAMAPTMAPK1
SCHEMBL8812882 0.80 PDGFRB (0.57) EGFRMAPTBRAFAURKAKDM4E
SCHEMBL15533269 0.78 ABCG2 (0.55) ABCG2EGFRLMNAMAPTMAPK1
SCHEMBL7799243 0.77 EGFR (0.58) EGFRLMNAMAPK1AURKAPTK2
SCHEMBL27565491 0.76 KDM4E (0.49) ABCG2MAPTBRAFAURKAKDM4E

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