SCHEMBL5138567

SCHEMBL5138567

C#CN(CC)CCCOc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(F)c4)nc3)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.61
AURKB Q96GD4 5/20 0.52
AURKA O14965 5/20 0.52
IRAK4 Q9NWZ3 1/20 0.51
HDAC3 O15379 4/20 0.50
HDAC4 P56524 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
PDGFRB P09619 1/20 0.50
FLT4 P35916 1/20 0.50
FLT3 P36888 1/20 0.50
EGFR P00533 2/20 0.49

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
SCHEMBL5085254 0.92 KDR (0.61) KDRAURKBAURKAIRAK4HDAC3
SCHEMBL5089551 0.92 KDR (0.63) KDRAURKBAURKAIRAK4HDAC3
SCHEMBL5087029 0.89 KDR (0.59) KDRAURKBAURKAIRAK4HDAC3
SCHEMBL5025516 0.88 AURKA (0.66) KDRAURKBAURKAIRAK4HDAC3
SCHEMBL5016634 0.87 AURKA (0.65) KDRAURKBAURKAIRAK4HDAC3
Hydrochloric Acid SCHEMBL5022853 0.86 KDR (0.69) KDRAURKBAURKAIRAK4HDAC3
SCHEMBL5016600 0.86 KDR (0.59) KDRAURKBAURKAIRAK4HDAC3
SCHEMBL5089035 0.86 KDR (0.60) KDRAURKBAURKAIRAK4HDAC3
SCHEMBL5094864 0.85 KDR (0.59) KDRAURKBAURKAIRAK4HDAC3
SCHEMBL5022442 0.85 KDR (0.60) KDRAURKBAURKAIRAK4HDAC3

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