SCHEMBL6470100

SCHEMBL6470100

[CH2]C(C1CCN(CCCOc2cc3ncnc(Nc4ncc(CC(=O)Nc5cccc(F)c5)s4)c3cc2OC)CC1)(C(C)(C)C)C(C)(C)C

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.81
EGFR P00533 1/20 0.81
IGF1R P08069 1/20 0.81
FGFR1 P11362 1/20 0.81
SRC P12931 1/20 0.81
FGFR2 P21802 1/20 0.81
FGFR4 P22455 1/20 0.81
FGFR3 P22607 1/20 0.81
CDK2 P24941 1/20 0.81
KDR P35968 1/20 0.81
CSK P41240 1/20 0.81
JAK3 P52333 1/20 0.81
PTK2 Q05397 1/20 0.81
AURKA O14965 19/20 0.69

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
SCHEMBL5045676 0.91 AURKB (0.88) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5046812 0.90 AURKB (0.85) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5046820 0.90 AURKB (0.82) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5045267 0.90 AURKB (0.91) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5046396 0.90 AURKB (0.76) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5045154 0.90 AURKB (1.00) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL31060166 0.90 AURKB (1.00) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL6470092 0.89 AURKB (0.85) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5042214 0.88 AURKB (0.84) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5140989 0.88 AURKB (0.85) AURKBEGFRIGF1RFGFR1SRC

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-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed