SCHEMBL19905088

SCHEMBL19905088

CCOc1ncc(-c2cc(NCC(C)[C@@H](C)c3cccc4c(C(=O)NC)ccnc34)ncn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.48
FAAH O00519 14/20 0.38
SLC40A1 Q9NP59 2/20 0.35
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL19905475 0.92 PRKDC (0.46) PRKDCFAAHSLC40A1ABL1BCR
SCHEMBL19355625 0.92 PRKDC (0.44) PRKDCFAAHSLC40A1
SCHEMBL19355626 0.92 PRKDC (0.44) PRKDCFAAHSLC40A1
SCHEMBL15339623 0.92 PRKDC (0.55) PRKDCFAAHSLC40A1ABL1BCR
SCHEMBL19905399 0.92 PRKDC (0.55) PRKDCFAAHSLC40A1
SCHEMBL20373201 0.91 PRKDC (0.47) PRKDCFAAHSLC40A1
SCHEMBL19355506 0.91 PRKDC (0.46) PRKDCFAAHSLC40A1
SCHEMBL19905083 0.90 PRKDC (0.44) PRKDCFAAHSLC40A1LMNATP53
SCHEMBL22838610 0.90 PRKDC (0.45) PRKDCFAAHSLC40A1ABL1BCR
SCHEMBL19905125 0.90 PRKDC (0.46) PRKDCFAAHSLC40A1

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