SCHEMBL12345552

SCHEMBL12345552

COC(=O)c1ccc(Nc2ncc3c(n2)N(CCC(C)C)[C@H](C)C(=O)N3C=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 6/20 0.63
VRK1 Q99986 13/20 0.53
VRK2 Q86Y07 2/20 0.53
RPS6KA6 Q9UK32 2/20 0.53
JAK2 O60674 1/20 0.53
BRD4 O60885 1/20 0.53
CSNK1A1 P48729 1/20 0.53
RPS6KA2 Q15349 1/20 0.53
RPS6KA1 Q15418 1/20 0.53
STK4 Q13043 2/20 0.41

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
SCHEMBL14457014 0.91 RPS6KA3 (0.65) RPS6KA3VRK1VRK2RPS6KA6JAK2
SCHEMBL14941101 0.85 RPS6KA3 (0.61) RPS6KA3VRK1VRK2RPS6KA6JAK2
SCHEMBL17780574 0.77 RPS6KA3 (0.64) RPS6KA3VRK1VRK2RPS6KA6JAK2
SCHEMBL17780459 0.77 RPS6KA3 (0.54) RPS6KA3VRK1VRK2RPS6KA6JAK2
SCHEMBL16160969 0.73 RPS6KA3 (0.67) RPS6KA3VRK1VRK2RPS6KA6JAK2
SCHEMBL862198 0.72 RPS6KA3 (0.62) RPS6KA3VRK1VRK2RPS6KA6JAK2
SCHEMBL21527053 0.72 RPS6KA3 (0.62) RPS6KA3VRK1VRK2RPS6KA6JAK2
SCHEMBL14972118 0.71 RPS6KA3 (0.64) RPS6KA3VRK1VRK2RPS6KA6JAK2
SCHEMBL17780318 0.70 RPS6KA3 (0.58) RPS6KA3VRK1VRK2RPS6KA6JAK2
SCHEMBL30013787 0.70 VRK1 (1.00) RPS6KA3VRK1VRK2RPS6KA6JAK2

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-1776363-B1 NOVEL 6-FORMYLTETRAHYDROPTERIDINES METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT AGAINST CANCER AMONGST OTHER THINGS BOEHRINGER INGELHEIM INT (DE) 2012-09-19 EP disclosed