SCHEMBL17780578

SCHEMBL17780578

CCOc1ccc(N2C(=O)[C@@H](C)N(CCC(C)C)c3nc(Nc4cc(F)c5[nH]ncc5c4)ncc32)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VRK1 Q99986 16/20 0.50
RPS6KA3 P51812 6/20 0.50
VRK2 Q86Y07 2/20 0.50
JAK2 O60674 1/20 0.50
BRD4 O60885 1/20 0.50
CSNK1A1 P48729 1/20 0.50
RPS6KA2 Q15349 1/20 0.50
RPS6KA1 Q15418 1/20 0.50
RPS6KA6 Q9UK32 1/20 0.50

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
SCHEMBL17780354 0.94 VRK1 (0.50) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780534 0.88 VRK1 (0.54) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780366 0.86 VRK1 (0.53) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780466 0.84 VRK1 (0.36) VRK1RPS6KA3JAK2BRD4
SCHEMBL17780339 0.83 VRK1 (0.56) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780397 0.80 TBK1 (0.37) VRK1JAK2BRD4RPS6KA6
SCHEMBL17780299 0.79 TBK1 (0.38) VRK1JAK2BRD4
SCHEMBL17780467 0.75 VRK1 (0.52) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780488 0.75 PLK1 (0.35) RPS6KA3JAK2BRD4
SCHEMBL17780349 0.75 VRK1 (0.68) VRK1RPS6KA3VRK2JAK2BRD4

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
US-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US claimed