SCHEMBL17780473

SCHEMBL17780473

CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(c2ccccc2)C(=O)C1C

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VRK1 Q99986 15/20 0.77
RPS6KA3 P51812 7/20 0.77
VRK2 Q86Y07 2/20 0.77
JAK2 O60674 1/20 0.77
BRD4 O60885 1/20 0.77
CSNK1A1 P48729 1/20 0.77
RPS6KA2 Q15349 1/20 0.77
RPS6KA1 Q15418 1/20 0.77
RPS6KA6 Q9UK32 1/20 0.77

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
SCHEMBL17780349 0.89 VRK1 (0.68) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL13881333 0.87 VRK1 (1.00) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL30013787 0.87 VRK1 (1.00) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780574 0.85 RPS6KA3 (0.64) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780594 0.84 RPS6KA3 (0.56) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL14941101 0.83 RPS6KA3 (0.61) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780459 0.82 RPS6KA3 (0.54) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780318 0.82 RPS6KA3 (0.58) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780457 0.82 RPS6KA3 (0.60) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780395 0.81 RPS6KA3 (0.55) 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