SCHEMBL7790969

SCHEMBL7790969

COc1cc2cnc(Nc3ccccc3Br)nc2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.55
ERBB2 P04626 1/20 0.52
CSF1R P07333 1/20 0.50
BRAF P15056 1/20 0.49
LRRK2 Q5S007 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTK2 Q05397 2/20 0.44
IGF1R P08069 1/20 0.43
MAP4K1 Q92918 1/20 0.43
RAB9A P51151 1/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
ALK Q9UM73 1/20 0.42
HDAC3 O15379 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
SCHEMBL7799373 0.90 EGFR (0.44) EGFRERBB2CSF1RBRAFLRRK2
SCHEMBL7799232 0.85 CSF1R (0.49) EGFRCSF1RLRRK2ALDH1A1KDM4E
SCHEMBL7766729 0.85 MEN1 (0.46) EGFRERBB2CSF1RLRRK2ALDH1A1
SCHEMBL7791030 0.84 FLT1 (0.55) EGFRCSF1RLRRK2ALDH1A1KDM4E
SCHEMBL7800417 0.84 LRRK2 (0.53) EGFRCSF1RLRRK2ALDH1A1MAPT
SCHEMBL7791014 0.84 C1R (0.51) EGFRLRRK2ALDH1A1MAPTKDM4E
SCHEMBL1539121 0.84 RET (0.55) EGFRBRAFLRRK2ALDH1A1MAPT
SCHEMBL7595199 0.84 PDGFRB (0.43) EGFRERBB2CSF1RBRAFLRRK2
SCHEMBL7799243 0.81 EGFR (0.58) EGFRLRRK2SMN1; SMN2PTK2MAP4K1
SCHEMBL7757002 0.81 PDGFRB (0.59) EGFRBRAFALDH1A1MAPTKDM4E

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 5 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
US-6316454-B1 6,7-Dimethoxy-4-anilinoquinazolines PARKER HUGHES INSTITUTE 2001-11-13 US 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