SCHEMBL14067883

SCHEMBL14067883

COc1ccc(-c2cnc(N)c(C(=O)Nc3cc(C(=O)c4ccccc4)ccc3NCCN)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.60
PRKDC P78527 4/20 0.60
ATM Q13315 2/20 0.49
PRKCA P17252 1/20 0.46
GSK3B P49841 1/20 0.46
PRKCQ Q04759 1/20 0.46
PIM2 Q9P1W9 1/20 0.46

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
SCHEMBL11984740 0.79 GSK3B (0.57) ATRPRKDCPRKCAGSK3BPRKCQ
SCHEMBL8307717 0.77 ATR (0.69) ATRPRKDCATM
SCHEMBL2484387 0.76 ATR (1.00) ATRPRKDCATM
SCHEMBL3460862 0.71 ATR (0.72) ATRPRKDCATMPRKCAGSK3B
SCHEMBL19101079 0.70 ATR (0.84) ATRPRKDCPRKCAGSK3BPRKCQ
SCHEMBL11907360 0.69 ATR (0.70) ATRPRKDCATMPRKCAGSK3B
SCHEMBL11984659 0.69 GSK3B (0.65) ATRPRKDCPRKCAGSK3BPRKCQ
SCHEMBL11984739 0.69 PRKCQ (0.78) ATRPRKDCPRKCAGSK3BPRKCQ
SCHEMBL11984736 0.68 GSK3B (0.82) ATRPRKDCPRKCAGSK3BPRKCQ
SCHEMBL3060457 0.68 ATR (0.71) ATRPRKDCATMGSK3B

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
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed