SCHEMBL7014373

SCHEMBL7014373

COc1cc(Nc2ccnc3cc([N+](=O)[O-])ccc23)c(Cl)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.67
GAK O14976 5/20 0.47
RIPK2 O43353 2/20 0.46
EGFR P00533 2/20 0.46
NOD1 Q9Y239 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
PDE5A O76074 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
COQ8A Q8NI60 1/20 0.43

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
SCHEMBL7012160 0.81 SRC (0.73) SRCGAKRIPK2EGFRNOD1
SCHEMBL7015603 0.81 SRC (0.73) SRCGAKRIPK2EGFRNOD1
SCHEMBL19209424 0.79 SRC (0.81) SRCGAKRIPK2EGFRNOD1
SCHEMBL14923429 0.79 HTT (0.57) ABCG2MEN1KMT2AMAPTNPC1
SCHEMBL5254846 0.79 SRC (0.70) SRC
SCHEMBL7015262 0.77 SRC (0.66) SRCGAKRIPK2EGFRNOD1
SCHEMBL5502139 0.77 SRC (0.81) SRCGAKRIPK2EGFRNOD1
SCHEMBL19617953 0.77 SRC (0.81) SRCGAKRIPK2EGFRNOD1
SCHEMBL7008456 0.76 SRC (0.67) SRCGAKMAPTHPGDSMN1; SMN2
SCHEMBL5050786 0.76 KDR (0.58) SRCGAKRIPK2EGFRABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed