SCHEMBL5069668

SCHEMBL5069668

N#Cc1nnc(NCc2ccccc2C(=O)O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
RPS6KB1 P23443 10/20 0.41
AURKA O14965 9/20 0.39
AURKB Q96GD4 2/20 0.39
KDM5B Q9UGL1 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PTGER4 P35408 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FOLH1 Q04609 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CNR2 P34972 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDPK1 O15530 1/20 0.35

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 0.81 ALDH1A1 (0.49) HIF1ARPS6KB1AURKAAURKBKDM5B
SCHEMBL5069647 0.81 HIF1A (0.47) HIF1ARPS6KB1AURKAAURKBKDM5B
SCHEMBL4997771 0.76 CSNK2A1 (0.51) HIF1ARPS6KB1KDM5BMEN1KMT2A
SCHEMBL5067187 0.74 EGFR (0.52) HIF1ARPS6KB1AURKAAURKBKDM5B
SCHEMBL1863835 0.72 POLB (0.57) HIF1AMEN1KMT2AHPGDKDM4E
SCHEMBL714379 0.70 EGFR (0.61) HIF1ARPS6KB1AURKAAURKBMEN1
SCHEMBL5072223 0.68 BCAT2 (0.49) HIF1ARPS6KB1AURKAMEN1KMT2A
SCHEMBL14830351 0.68 HIF1A (0.81) HIF1ASMN1; SMN2FOLH1HTTALDH1A1
SCHEMBL9567555 0.67 HPGD (0.63) HIF1AMEN1KMT2AHPGDKDM4E
SCHEMBL3130427 0.66 HIF1A (0.54) HIF1AKMT2AHPGDKDM4ELMNA

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-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