SCHEMBL1246693

SCHEMBL1246693

COc1cc2cnc(Nc3ccc(O)c(Br)c3)nc2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.58
JAK3 P52333 2/20 0.58
ABCB1 P08183 1/20 0.58
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CCND2 P30279 2/20 0.47
CCND3 P30281 2/20 0.47
EGFR P00533 3/20 0.44
BRAF P15056 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDR P35968 7/20 0.41
RET P07949 2/20 0.41
KIF5B P33176 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7754110 0.86 EGFR (0.54) ABCG2JAK3ABCB1CDK4CCND1
SCHEMBL360021 0.83 EGFR (0.53) JAK3EGFRBRAFKDM4EALDH1A1
SCHEMBL7799220 0.80 ABCG2 (0.65) ABCG2EGFRBRAFKDM4EKDR
SCHEMBL7753469 0.80 FGFR1 (0.56) ABCG2ABCB1EGFRBRAFKDR
SCHEMBL2205050 0.79 KDM4E (0.52) ABCG2EGFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL7801861 0.78 KDM4E (0.55) ABCG2EGFRBRAFKDM4EALDH1A1
SCHEMBL8812882 0.78 PDGFRB (0.57) CDK4CCND1EGFRBRAFKDM4E
SCHEMBL1571331 0.78 PDE5A (0.57) EGFRKDRMAPTCDK1CDK2
SCHEMBL7595199 0.78 PDGFRB (0.43) JAK3EGFRBRAFKDM4EALDH1A1
SCHEMBL7757002 0.78 PDGFRB (0.59) CDK4CCND1EGFRBRAFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2830625-A1 INSULIN-LIKE GROWTH FACTOR-1 RECEPTOR INHIBITORS Merck Sharp & Dohme Corporation (US) 2015-02-04 EP disclosed
WO-2013148227-A1 INSULIN-LIKE GROWTH FACTOR-1 RECEPTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-10-03 WO disclosed
EP-2632472-A1 RNA INTERFERENCE MEDIATED INHIBITION OF GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACIDS (siNA) Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058210-A1 RNA INTERFERENCE MEDIATED INHIBITION OF GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACIDS (siNA) MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-2278969-A2 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-02-02 EP disclosed
WO-2010011375-A2 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-28 WO disclosed
EP-2129778-A1 SITE-SPECIFIC ENZYMATIC DEPOSITION OF METAL IN SITU Nanoprobes, Inc. (US) 2009-12-09 EP disclosed
WO-2008109617-A1 SITE-SPECIFIC ENZYMATIC DEPOSITION OF METAL IN SITU NANOPROBES, INC. (US) 2008-09-12 WO disclosed
EP-1162974-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP disclosed
WO-1999061428-A9 QUINAZOLINES FOR TREATING BRAIN TUMOR PARKER HUGHES INST (US) 2001-10-04 WO disclosed
EP-1082311-A1 QUINAZOLINES FOR TREATING BRAIN TUMOR Parker Hughes Institute (US) 2001-03-14 EP disclosed
WO-2000056338-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed
WO-1999061428-A1 QUINAZOLINES FOR TREATING BRAIN TUMOR PARKER HUGHES INSTITUTE (US) 1999-12-02 WO disclosed