SCHEMBL7750846

SCHEMBL7750846

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
GSK3B P49841 1/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
EGFR P00533 2/20 0.46
POLB P06746 1/20 0.46
NR2F2 P24468 1/20 0.46
CNR1 P21554 2/20 0.45
BDKRB1 P46663 1/20 0.44
PDE5A O76074 1/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7746181 0.88 BDKRB1 (0.48) HPGDSMN1; SMN2HTTGSK3BEGFR
SCHEMBL7750841 0.88 EGFR (0.52) HPGDSMN1; SMN2GSK3BAURKARPS6KB1
SCHEMBL7752026 0.86 SMN1; SMN2 (0.47) HPGDSMN1; SMN2HTTGSK3BAURKA
SCHEMBL7753170 0.86 GSK3B (0.48) HPGDSMN1; SMN2HTTGSK3BAURKA
SCHEMBL7750817 0.83 ALDH1A1 (0.52) AURKARPS6KB1EGFRPOLBNR2F2
SCHEMBL7752068 0.78 BDKRB1 (0.44) HPGDSMN1; SMN2HTTGSK3BCDK5
SCHEMBL20061520 0.77 HTT (0.48) SMN1; SMN2HTTAURKARPS6KB1EGFR
SCHEMBL20061528 0.77 HTT (0.50) SMN1; SMN2HTTAURKARPS6KB1EGFR
SCHEMBL7753157 0.77 BDKRB1 (0.53) SMN1; SMN2EGFRPOLBCNR1BDKRB1
SCHEMBL20061442 0.77 HTT (0.52) SMN1; SMN2HTTAURKARPS6KB1EGFR

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