SCHEMBL7812296

SCHEMBL7812296

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@H]1COC(C)(C)O1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 4/20 0.68
KDR P35968 4/20 0.68
EPHA2 P29317 3/20 0.68
EGFR P00533 14/20 0.67
ERBB2 P04626 3/20 0.67
FBP1 P09467 2/20 0.67
AURKA O14965 1/20 0.67
INSR P06213 1/20 0.67
PDGFRB P09619 1/20 0.67
FLT4 P35916 1/20 0.67
CLK1 P49759 1/20 0.67
TEK Q02763 1/20 0.67
AURKB Q96GD4 1/20 0.67

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
SCHEMBL7814454 1.00 EPHB4 (0.68) EPHB4KDREPHA2EGFRERBB2
SCHEMBL9259 0.89 KDR (0.77) EPHB4KDREPHA2EGFRERBB2
SCHEMBL4531303 0.85 KDR (0.72) EPHB4KDREPHA2EGFRERBB2
SCHEMBL4359307 0.83 EPHA2 (0.85) EPHB4KDREPHA2EGFRERBB2
SCHEMBL6265759 0.83 KDR (0.61) EPHB4KDREPHA2EGFRERBB2
SCHEMBL6265754 0.83 KDR (0.61) EPHB4KDREPHA2EGFRERBB2
SCHEMBL4539126 0.83 EGFR (0.74) EPHB4KDREPHA2EGFRERBB2
SCHEMBL2099106 0.82 EGFR (1.00) EPHB4KDREGFRERBB2FBP1
SCHEMBL30505605 0.82 EGFR (1.00) EPHB4KDREGFRERBB2FBP1
Hydrochloric Acid SCHEMBL27887194 0.81 EGFR (0.98) EPHB4KDREGFRERBB2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892799-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-22 EP claimed
US-5770603-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1998-06-23 US claimed
EP-0892799-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-22 EP disclosed
EP-0892799-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1999-01-27 EP disclosed
US-5770603-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1998-06-23 US disclosed
WO-1997038994-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 WO disclosed