SCHEMBL19905258

SCHEMBL19905258

CNC(=O)c1ncnc2c(C(C)[C@H](C)CNc3cc(-c4ccc(C(=O)NCCC#N)nc4)ncn3)cccc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.37
FAAH O00519 10/20 0.33
MAPT P10636 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
PTK2 Q05397 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL15473150 0.93 PRKDC (0.42) PRKDCFAAHMAPTIRAK4ABL1
SCHEMBL17874678 0.93 PRKDC (0.42) PRKDCFAAHMAPTIRAK4ABL1
SCHEMBL19905294 0.91 ABL1 (0.40) PRKDCFAAHABL1BCR
SCHEMBL19905263 0.85 FAAH (0.33) FAAHMAPTIRAK4ABL1BCR
SCHEMBL17874676 0.84 ABL1 (0.41) PRKDCFAAHABL1BCR
SCHEMBL19905481 0.83 PRKDC (0.40) PRKDCFAAH
SCHEMBL19905365 0.83 PRKDC (0.41) PRKDCFAAH
SCHEMBL19905448 0.82 FAAH (0.47) PRKDCFAAHMAPT
SCHEMBL19905491 0.82 PRKDC (0.44) PRKDCFAAHMAPTABL1BCR
SCHEMBL19905441 0.81 PRKDC (0.44) 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