SCHEMBL19905491

SCHEMBL19905491

CCOc1ncc(-c2cc(NC[C@@H](C)C(C)c3cccc4c(C(=O)NC)ncnc34)ncn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.44
FAAH O00519 16/20 0.39
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 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
SCHEMBL19905441 0.94 PRKDC (0.44) PRKDCFAAHABL1BCRTP53
SCHEMBL17874683 0.92 PRKDC (0.51) PRKDCFAAHABL1BCRLMNA
SCHEMBL19905481 0.89 PRKDC (0.40) PRKDCFAAH
SCHEMBL19905088 0.89 PRKDC (0.48) PRKDCFAAHABL1BCRLMNA
SCHEMBL19905365 0.88 PRKDC (0.41) PRKDCFAAH
SCHEMBL19905448 0.87 FAAH (0.47) PRKDCFAAHMAPT
SCHEMBL19905485 0.87 PRKDC (0.42) PRKDCFAAHABL1BCR
SCHEMBL17874675 0.86 PRKDC (0.50) PRKDCFAAHABL1BCRTP53
SCHEMBL15473153 0.86 PRKDC (0.50) PRKDCFAAHABL1BCRTP53
SCHEMBL17634923 0.83 PRKDC (0.58) PRKDCFAAHABL1BCR

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-3057959-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2018-02-28 EP disclosed