SCHEMBL5507718

SCHEMBL5507718

O=C1Cc2nnccc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.39
PDK2 Q15119 1/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
GSK3B P49841 6/20 0.36
GSK3A P49840 5/20 0.36
CDK5 Q00535 5/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
CHEK2 O96017 1/20 0.36
LCK P06239 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1D P48730 1/20 0.36
BLK P51451 1/20 0.36
STK3 Q13188 1/20 0.36
AURKB Q96GD4 1/20 0.36
CMA1 P23946 2/20 0.35
PLCG1 P19174 1/20 0.35
EIF2AK2 P19525 1/20 0.34

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
SCHEMBL31419193 0.82 NPC1 (0.41) AHRPDK2PDE3BPDE3AGSK3B
SCHEMBL29550002 0.72 AHR (0.48) AHRPDK2PDE3BPDE3AGSK3B
SCHEMBL5503921 0.72 AHR (0.35) AHRPDK2PDE3BPDE3ACMA1
SCHEMBL659375 0.72 AHR (0.48) AHRPDK2PDE3BPDE3AGSK3B
SCHEMBL4156128 0.68
SCHEMBL6078864 0.68 MAOA (0.41) PDE3BPDE3AGSK3BGSK3AALDH1A1
SCHEMBL5259954 0.68 MAOA (0.41) PDE3BPDE3AGSK3BGSK3AALDH1A1
SCHEMBL16652264 0.68 MMP12 (0.40) GSK3BGSK3ACDK5PLK4AURKA
SCHEMBL5501537 0.68 AURKA (0.41) AHRPDK2PDE3BPDE3AGSK3B
SCHEMBL658555 0.67 AHR (0.46) AHRPDK2PDE3BPDE3ACMA1

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-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed