SCHEMBL2419166

SCHEMBL2419166

c1ncc2ccc(N3CCOCC3)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 8/20 0.53
▸ MAPK10 P53779 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ EGFR P00533 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP6 P55212 1/20 0.46

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
SCHEMBL31302322 1.00 PRKDC (0.53) PRKDCMAPK10PIK3CDPIK3CAPIK3CB
SCHEMBL8871292 0.88 PRKDC (0.50) PRKDCMAPK10PIK3CDPIK3CAPIK3CB
SCHEMBL30979878 0.87 MAP4K4 (0.44) PRKDCL3MBTL1
SCHEMBL14909185 0.78 MAPT (0.50) PRKDCMAPK10PIK3CDPIK3CAPIK3CB
SCHEMBL3371639 0.78 MAPK10 (0.46) PRKDCMAPK10PIK3CDPIK3CAPIK3CB
SCHEMBL2419432 0.78 MAPK10 (0.51) PRKDCMAPK10PIK3CDPIK3CAPIK3CB
SCHEMBL4313377 0.77 SLC6A4 (0.65) KCNH2
SCHEMBL30824500 0.75 MAPK10 (0.55) MAPK10MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21178283 0.74 PRKDC (0.48) PRKDCMAPK10PIK3CDPIK3CAPIK3CB
SCHEMBL27389897 0.73 IP6K1 (0.53) PRKDCPIK3CDPIK3CAEGFRKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547664-A1 MORPHOLINYLQUINAZOLINES Merck Patent GmbH (DE) 2013-01-23 — — EP disclosed
WO-2011113512-A1 MORPHOLINYLQUINAZOLINES MERCK PATENT GMBH (DE) 2011-09-22 — — WO disclosed
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