SCHEMBL5084485

SCHEMBL5084485

C#CN1CCC(COc2cc3ncnc(Nc4cnc(NC(=O)c5ccc(F)c(Cl)c5)nc4)c3cc2OC)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.67
EGFR P00533 10/20 0.61
KDR P35968 7/20 0.52
FGFR1 P11362 3/20 0.52
FLT1 P17948 3/20 0.52
FLT4 P35916 3/20 0.52
EPHA2 P29317 2/20 0.51
EPHB4 P54760 2/20 0.51
ERBB2 P04626 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 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
SCHEMBL5022513 0.90 AURKA (0.72) AURKAEGFRKDRFGFR1FLT1
SCHEMBL5022398 0.87 AURKA (0.70) AURKAEGFRKDRFGFR1FLT1
SCHEMBL5091126 0.86 AURKA (0.68) AURKAEGFRKDRFLT4EPHB4
Trifluoroacetic Acid SCHEMBL5025451 0.85 AURKA (0.62) AURKAEGFRKDRFGFR1FLT1
SCHEMBL5091131 0.85 AURKA (0.69) AURKAEGFRKDRFLT4EPHB4
SCHEMBL5022873 0.84 AURKA (0.67) AURKAEGFRKDRFLT4EPHB4
SCHEMBL5022967 0.83 AURKA (0.65) AURKAEGFRKDRAURKB
SCHEMBL5016588 0.82 AURKA (0.65) AURKAEGFRKDRFLT4EPHB4
SCHEMBL5016618 0.81 AURKA (0.69) AURKAEGFRKDRFLT4EPHB4
SCHEMBL5026765 0.81 AURKA (0.64) AURKAEGFRKDRFLT4EPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575966-B1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-10-29 EP claimed