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Sugi Predict / Compounds / SCHEMBL21187289

SCHEMBL21187289

SCHEMBL21187289

COc1ncnc2cc(N3CCOCC3)cc(OC3CCCCC3)c12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.44
▸ KDR P35968 3/20 0.44
▸ PDE10A Q9Y233 1/20 0.41
▸ PRKDC P78527 9/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ TTK P33981 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL21177871 0.90 SYK (0.47) SRCKDRPDE10APRKDCIRAK4
SCHEMBL30823276 0.90 SYK (0.47) SRCKDRPDE10APRKDCIRAK4
SCHEMBL21187399 0.90 SYK (0.47) SRCKDRPDE10APRKDCIRAK4
SCHEMBL30823290 0.81 PIK3CD (0.40) SRCKDRPRKDC
SCHEMBL28461575 0.81 PIK3CD (0.40) SRCKDRPRKDC
SCHEMBL22651983 0.81 PIK3CD (0.40) SRCKDRPRKDC
SCHEMBL21187398 0.80 RAF1 (0.40) PRKDCSUV39H2
SCHEMBL21178579 0.80 RAF1 (0.40) PRKDCSUV39H2
SCHEMBL21178651 0.80 PIK3CD (0.37) SRCKDRPDE10APRKDCIRAK4
SCHEMBL30823294 0.80 PIK3CD (0.37) SRCKDRPDE10APRKDCIRAK4

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-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 — — WO disclosed