SCHEMBL3366820

SCHEMBL3366820

CS(=O)(=O)c1cc(Oc2ccnc(C#N)c2)ccc1NC(=O)Nc1ccc2c(c1)C(F)(F)OC(F)(F)O2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.44
BRAF P15056 14/20 0.41
KIT P10721 1/20 0.39
KIF11 P52732 1/20 0.35

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
SCHEMBL13363778 0.89 KDR (0.47) KDRBRAFKIT
SCHEMBL13799389 0.88 KDR (0.46) KDRBRAFKIT
SCHEMBL3366948 0.88 KDR (0.48) KDRBRAFKIT
SCHEMBL3366914 0.88 KDR (0.56) KDRBRAFKIT
SCHEMBL13363759 0.87 KDR (0.53) KDRBRAFKIT
SCHEMBL6479003 0.87 RAF1 (0.48) KDRBRAFKIT
SCHEMBL13363801 0.87 KDR (0.45) KDRBRAFKIT
SCHEMBL1379400 0.86 KDR (0.46) KDRBRAFKITKIF11
SCHEMBL13790462 0.86 KDR (0.56) KDRBRAFKIT
SCHEMBL13363772 0.85 KDR (0.44) KDRBRAFKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599467-B1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE LLC (US) 2010-05-19 EP disclosed
EP-1599467-B1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE LLC (US) 2010-05-19 EP disclosed
US-7557129-B2 Cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC (US) 2009-07-07 US disclosed
US-7557129-B2 Cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC (US) 2009-07-07 US disclosed
EP-1599467-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 EP disclosed
WO-2004078747-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO disclosed