SCHEMBL6469839

SCHEMBL6469839

CCN(CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4ccccc4F)s3)c2cc1OC)CCOP(=O)(OCCN(CC)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4ccccc4F)s3)c2cc1OC)OCCN(CC)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4ccccc4F)s3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.59
AURKB Q96GD4 4/20 0.57
KDR P35968 8/20 0.52
HDAC3 O15379 4/20 0.52
HDAC4 P56524 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC10 Q969S8 4/20 0.52
HDAC11 Q96DB2 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC9 Q9UKV0 4/20 0.52
HDAC5 Q9UQL6 4/20 0.52
EGFR P00533 3/20 0.51
IGF1R P08069 1/20 0.51
FGFR1 P11362 1/20 0.51
SRC P12931 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR4 P22455 1/20 0.51

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
SCHEMBL3884756 0.95 AURKA (0.58) AURKAAURKBKDRHDAC3HDAC4
SCHEMBL5045117 0.95 AURKA (0.55) AURKAAURKBKDRHDAC3HDAC4
SCHEMBL6470602 0.95 AURKA (0.64) AURKAAURKBKDREGFRIGF1R
SCHEMBL6471691 0.93 AURKA (0.60) AURKAAURKBKDREGFRIGF1R
SCHEMBL5049618 0.92 AURKA (0.66) AURKAAURKBKDRHDAC3HDAC4
SCHEMBL5045615 0.91 AURKA (0.64) AURKAAURKBKDREGFRIGF1R
SCHEMBL5049559 0.90 AURKA (0.61) AURKAAURKBKDREGFRIGF1R
SCHEMBL3888253 0.89 AURKA (0.59) AURKAAURKBKDREGFRIGF1R
SCHEMBL5049886 0.88 AURKA (0.56) AURKAAURKBKDREGFRIGF1R
SCHEMBL6470103 0.87 AURKA (0.66) AURKAAURKBKDRHDAC3HDAC4

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