SCHEMBL7750817

SCHEMBL7750817

CCCCC(=O)Nc1c(NCCc2ccccc2)ncnc1NCc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
AURKA O14965 2/20 0.48
RPS6KB1 P23443 1/20 0.48
EGFR P00533 4/20 0.47
POLB P06746 1/20 0.47
NR2F2 P24468 1/20 0.47
PTPN1 P18031 1/20 0.47
CNR1 P21554 1/20 0.46
BDKRB1 P46663 1/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45

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
SCHEMBL7750841 0.94 EGFR (0.52) ALDH1A1AURKARPS6KB1EGFRPOLB
SCHEMBL7746182 0.90 BDKRB1 (0.49) ALDH1A1MEN1KMT2AMAPTAURKA
SCHEMBL7753196 0.88 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AAURKAEGFR
SCHEMBL7752026 0.86 SMN1; SMN2 (0.47) MEN1KMT2AAURKARPS6KB1EGFR
SCHEMBL7753170 0.84 GSK3B (0.48) ALDH1A1MEN1KMT2AMAPTAURKA
SCHEMBL7753157 0.83 BDKRB1 (0.53) ALDH1A1MAPTEGFRPOLBCNR1
SCHEMBL7750846 0.83 HPGD (0.47) ALDH1A1MEN1KMT2AAURKARPS6KB1
SCHEMBL7751822 0.81 BDKRB1 (0.46) ALDH1A1EGFRPOLBBDKRB1
SCHEMBL7752068 0.76 BDKRB1 (0.44) ALDH1A1EGFRCNR1BDKRB1
SCHEMBL7746219 0.75 PPARG (0.44) ALDH1A1MAPTEGFRPOLBBDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686631-B1 Pyrimidine derivatives and pharmaceutical compositions KUREHA CHEMICAL IND CO LTD (JP) 2001-01-17 EP disclosed
US-5585381-A HYPOTENSIVE AGENT AND ALSO TREATING KIDNEY RENAL DISEASE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-12-17 US disclosed
EP-0686631-A1 Pyrimidine derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-13 EP disclosed