SCHEMBL7414959

SCHEMBL7414959

CCc1nc(=O)[nH]c2cc(OC)c(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.56
PDE3A Q14432 7/20 0.56
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
NTRK1 P04629 1/20 0.52
LCK P06239 1/20 0.52
CDK1 P06493 1/20 0.52
CSF1R P07333 1/20 0.52
PIM1 P11309 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CDK2 P24941 1/20 0.52
MARK3 P27448 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
CSNK1D P48730 1/20 0.52
MAPKAPK2 P49137 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CDK5 Q00535 1/20 0.52

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
SCHEMBL14374836 0.79 KDM4E (0.51) CDK1CDK2CSNK1DGSK3BCDK5
SCHEMBL7408010 0.79 PDE3B (0.60) PDE3BPDE3AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9347456 0.78 PLK4 (0.46) PDE3BPDE3APLK4CHEK1AURKA
SCHEMBL15859207 0.78 PDE3B (0.58) PDE3BPDE3AAURKAALDH1A1KDM4E
SCHEMBL11116678 0.77 PDE3B (0.51) PDE3BPDE3AALDH1A1KDM4ESMN1; SMN2
SCHEMBL24392630 0.75 ALDH1A1 (0.49) PDE3BPDE3APLK4CHEK1AURKA
SCHEMBL7412993 0.75 PDE3B (0.44) PDE3BPDE3APLK4CHEK1AURKA
SCHEMBL7409986 0.74 PDE3B (0.43) PDE3BPDE3AALDH1A1KDM4ESMN1; SMN2
SCHEMBL14374196 0.73 MAT2A (0.46) PDE3BPDE3AALDH1A1KDM4ESMN1; SMN2
SCHEMBL14374256 0.72 MAT2A (0.66) CHEK1KDM4ESMN1; SMN2LMNACASP1

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-0107398-B1 ORTHO SUBSTITUTED DIHYDROXY-2(1H)QUINAZOLINONE-1-ALKANOIC ACIDS ORTHO PHARMA CORP (US) 1988-06-08 EP disclosed
US-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US disclosed
US-4490374-A CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1984-12-25 US disclosed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 EP disclosed