SCHEMBL20217428

SCHEMBL20217428

CCCC(CC)Oc1ccc(C(=N)c2cc(C(=O)NC(c3ccccn3)C3CC3)ccc2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.41
TTK P33981 7/20 0.41
AURKB Q96GD4 6/20 0.41
INCENP Q9NQS7 6/20 0.41
SLC6A9 P48067 4/20 0.35
PLAU P00749 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
WDR5 P61964 5/20 0.35
PDE2A O00408 1/20 0.33
F7 P08709 1/20 0.33

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
SCHEMBL20217912 0.83 CYP3A4 (0.43) CYP3A4TTKAURKBINCENPSLC6A9
SCHEMBL20217751 0.81 CYP3A4 (0.55) CYP3A4TTKAURKBINCENPSLC6A9
SCHEMBL20217592 0.80 CYP3A4 (0.53) CYP3A4TTKAURKBINCENPSLC6A9
SCHEMBL20217617 0.80 CYP3A4 (0.49) CYP3A4TTKAURKBINCENP
SCHEMBL20217750 0.79 CYP3A4 (0.67) CYP3A4TTKAURKBINCENPSLC6A9
SCHEMBL20217315 0.78 CYP3A4 (0.52) CYP3A4TTKAURKBINCENPSLC6A9
SCHEMBL20217632 0.77 CYP3A4 (0.52) CYP3A4TTKAURKBINCENPSLC6A9
SCHEMBL20217458 0.77 CYP3A4 (0.50) CYP3A4TTKAURKBINCENPSLC6A9
SCHEMBL20217145 0.76 CYP3A4 (0.47) CYP3A4TTKAURKBINCENPSLC6A9
SCHEMBL20217956 0.76 CYP3A4 (0.48) CYP3A4TTKAURKBINCENPSLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed