SCHEMBL5069647

SCHEMBL5069647

O=C(O)c1ccccc1CNc1nnc(I)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
KDM5B Q9UGL1 1/20 0.41
RPS6KB1 P23443 6/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
AURKA O14965 5/20 0.39
FOLH1 Q04609 1/20 0.39
AURKB Q96GD4 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGER4 P35408 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SLC16A3 O15427 1/20 0.38
CNR2 P34972 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NOX4 Q9NPH5 1/20 0.37

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
SCHEMBL5067327 0.84 ALDH1A1 (0.49) HIF1AKDM5BRPS6KB1KMT2AMEN1
SCHEMBL5069668 0.81 HIF1A (0.44) HIF1AKDM5BRPS6KB1KMT2AMEN1
SCHEMBL5067187 0.77 EGFR (0.52) HIF1AKDM5BRPS6KB1KMT2AMEN1
SCHEMBL4991734 0.74 CSNK2A1 (0.51) KDM5BRPS6KB1KMT2AMEN1HPGD
SCHEMBL4990856 0.74 CSNK2A1 (0.54) KDM5BRPS6KB1KMT2AMEN1HPGD
SCHEMBL714379 0.73 EGFR (0.61) HIF1ARPS6KB1KMT2AMEN1AURKA
SCHEMBL1863835 0.71 POLB (0.57) HIF1AKMT2AMEN1HPGDLMNA
SCHEMBL5072223 0.71 BCAT2 (0.49) HIF1ARPS6KB1KMT2AMEN1AURKA
SCHEMBL14830351 0.71 HIF1A (0.81) HIF1AFOLH1SMN1; SMN2ALDH1A1HTT
SCHEMBL9567555 0.70 HPGD (0.63) HIF1AKMT2AMEN1FOLH1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed