SCHEMBL19905485

SCHEMBL19905485

CCOc1ncc(-c2cc(NC[C@@H](C)C(C)c3cccc4c(C(=O)NC)c(F)cnc34)ncn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.42
FAAH O00519 17/20 0.40
ABL1 P00519 1/20 0.33
BCR P11274 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
SCHEMBL19905459 0.95 PRKDC (0.42) PRKDCFAAHABL1BCR
SCHEMBL17874690 0.92 PRKDC (0.48) PRKDCFAAHABL1BCR
SCHEMBL20373310 0.92 PRKDC (0.42) PRKDCFAAHABL1BCR
SCHEMBL19355151 0.90 PRKDC (0.39) PRKDCFAAH
SCHEMBL19905192 0.89 PRKDC (0.39) PRKDCFAAHABL1BCR
SCHEMBL19905199 0.89 PRKDC (0.38) PRKDCFAAHABL1BCR
SCHEMBL19905097 0.89 PRKDC (0.38) PRKDCFAAH
SCHEMBL19905352 0.89 PRKDC (0.41) PRKDCFAAHABL1BCR
SCHEMBL19905048 0.89 PRKDC (0.39) PRKDCFAAH
SCHEMBL22838446 0.88 FAAH (0.36) PRKDCFAAH

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