SCHEMBL7211883

SCHEMBL7211883

COc1cc2c(C3C(=O)Nc4ccc(C#N)cc43)ncnc2cc1OCCN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
PDGFRB P09619 17/20 0.52
MAPK7 Q13164 1/20 0.45
AURKA O14965 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
Hydrochloric Acid SCHEMBL7206178 0.99 CHEK1 (0.52) CHEK1PDGFRBMAPK7AURKA
SCHEMBL7205566 0.89 CHEK1 (0.68) CHEK1PDGFRB
Hydrochloric Acid SCHEMBL7206387 0.89 CHEK1 (0.67) CHEK1PDGFRB
SCHEMBL4518666 0.88 PDGFRB (0.46) CHEK1PDGFRBMAPK7
Hydrochloric Acid SCHEMBL7206364 0.87 CHEK1 (0.46) CHEK1PDGFRBMAPK7
SCHEMBL7209523 0.87 KDR (0.49) PDGFRBAURKA
Hydrochloric Acid SCHEMBL7209557 0.86 KDR (0.48) PDGFRBAURKA
SCHEMBL4506547 0.85 PDGFRB (0.53) CHEK1PDGFRBMAPK7
Hydrochloric Acid SCHEMBL7209559 0.85 PDGFRB (0.53) CHEK1PDGFRBMAPK7
SCHEMBL4519142 0.83 CHEK1 (0.77) CHEK1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912557-B1 OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2003-07-09 EP disclosed
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 US disclosed