SCHEMBL7753170

SCHEMBL7753170

CCCCC(=O)Nc1c(NCc2ccc(OC)cc2)ncnc1NCc1ccc(C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
MAPT P10636 1/20 0.48
BDKRB1 P46663 1/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
VNN1 O95497 1/20 0.46
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
EGFR P00533 1/20 0.45
POLB P06746 1/20 0.45
NR2F2 P24468 1/20 0.45
CNR1 P21554 3/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 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
SCHEMBL7752026 0.92 SMN1; SMN2 (0.47) GSK3BBDKRB1HPGDSMN1; SMN2VNN1
SCHEMBL7753157 0.91 BDKRB1 (0.53) MAPTBDKRB1SMN1; SMN2EGFRPOLB
SCHEMBL7750841 0.89 EGFR (0.52) GSK3BBDKRB1HPGDSMN1; SMN2VNN1
SCHEMBL7746181 0.88 BDKRB1 (0.48) GSK3BMAPTBDKRB1HPGDSMN1; SMN2
SCHEMBL7750846 0.86 HPGD (0.47) GSK3BBDKRB1HPGDSMN1; SMN2AURKA
SCHEMBL7746182 0.85 BDKRB1 (0.49) MAPTBDKRB1HPGDSMN1; SMN2AURKA
SCHEMBL7750817 0.84 ALDH1A1 (0.52) MAPTBDKRB1AURKARPS6KB1EGFR
SCHEMBL7752068 0.81 BDKRB1 (0.44) GSK3BBDKRB1HPGDSMN1; SMN2CDK5
SCHEMBL7751822 0.81 BDKRB1 (0.46) BDKRB1HPGDEGFRPOLBALDH1A1
SCHEMBL7746195 0.80 BDKRB1 (0.46) MAPTBDKRB1HPGDSMN1; SMN2EGFR

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